Bms493 (CAS 215030-90-3): properties, price, suppliers and safety

What is Bms493?

Plain description, key identifiers and synonyms

BMS-493 is a member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenylethynyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer). It has a role as a retinoic acid receptor antagonist. It is a member of benzoic acids, a stilbenoid, an acetylenic compound and a member of dihydronaphthalenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic acid
CAS number: 215030-90-3 CAS number cross-checkedOther or deprecated CAS: 2329465-40-7
EC number: 662-979-6
Molecular formula: C₂₉H₂₄O₂
MDL number: MFCD17215944
InChIKey: YCADIXLLWMXYKW-CMDGGOBGSA-N
InChI: InChI=1S/C29H24O2/c1-29(2)19-18-24(14-10-21-6-4-3-5-7-21)26-20-23(13-17-27(26)29)9-8-22-11-15-25(16-12-22)28(30)31/h3-9,11-13,15-18,20H,19H2,1-2H3,(H,30,31)/b9-8+
Canonical SMILES: CC1(C)CC=C(C#Cc2ccccc2)c2cc(C=Cc3ccc(C(=O)O)cc3)ccc21
Isomeric SMILES: CC1(CC=C(C2=C1C=CC(=C2)/C=C/C3=CC=C(C=C3)C(=O)O)C#CC4=CC=CC=C4)C

Synonyms

BMS 493
4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl]benzoic acid
4-((E)-2-(5,5-dimethyl-8-(2-phenylethynyl)-5,6-dihydronaphthalen-2-yl)ethenyl)benzoic acid
4-[(1E)-2-[5,6-Dihydro-5,5-dimethyl-8-(2-phenylethynyl)-2-naphthalenyl]ethenyl]benzoic acid
4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid
(E)-4-(2-(5,5-Dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl)vinyl)benzoic acid
4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]ethenyl]benzoic Acid
(E)-4-(2-(5,5-Dim
BMS-204493?
BMS 493, >=98% (HPLC)
(E)-4-(2-(5,5-Dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl)vinyl)benzoicacid
4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-6H-naphthalen-2-yl]vinyl]benzoic acid
4-((1E)-2-(1,2-dihydro-1,1-dimethyl-4-(2-phenylethynyl)naphthalen-6-yl)vinyl)benzoic acid
EQO

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	404.51 g/molcalc.
Exact mass	404.1776 Dacalc.
LogP (octanol/water)	6.67calc.
Topological polar surface area	37.3 Å²calc.
Hydrogen bond donors	1calc.
Hydrogen bond acceptors	1calc.
Rotatable bonds	3calc.
Heavy atoms	31calc.
Rings	4calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.14calc.
Formal charge	0calc.
Stereocentres	0calc.
Lipinski rule of five	Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

C(#Cc1ccccc1)C1=CCCc2ccc(C=Cc3ccccc3)cc21

4 rings, 26 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Bms493 suppliers

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Excenen Pharmatech Co., Ltd.
China, GuangzhouUnclaimed profile
Bms493Grade, purity and minimum order on request
Price on request
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Where suppliers are based

1 supplier in 1 country

China1

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Bms493 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Roles

antagonist
nuclear receptor modulator
pharmaceutical
receptor modulator
retinoic acid receptor antagonist
retinoic acid receptor modulator

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Bms493 is traded under.

HS 2916.39Indicative HS code

Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…

World exports in 2024

$706M

−6.8% vs 2023, imports $714M

2019 to 2024

Top exporters

China49.0%
India * partner reported16.2%
Germany13.2%

Top importers

India * partner reported14.5%
United States12.2%
Germany8.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Bms493 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

4-(2-(5,5-DImethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl)vinyl)benzoic acid chemical structure, C29H24O2, CAS 2329465-40-7

4-(2-(5,5-DImethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl)vinyl)benzoic acid2329465-40-7C₂₉H₂₄O₂

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Bms453 chemical structure, C27H24O2, CAS 166977-43-1

68% similar

Bms453166977-43-1C₂₇H₂₄O₂

4-[2-(5,5-Dimethyl-8-phenyl-6H-naphthalen-2-yl)ethynyl]benzoic acid chemical structure, C27H22O2, CAS 166977-57-7

Same formula isomers

Different compounds that share this molecular formula

All isomers

(1R)-2,2',3,3'-Tetrahydro-6,6'-diphenyl-1,1'-spirobi[1H-indene]-7,7'-diol chemical structure, C29H24O2, CAS 1258326-98-5

(1R)-2,2',3,3'-Tetrahydro-6,6'-diphenyl-1,1'-spirobi[1H-indene]-7,7'-diol1258326-98-5C₂₉H₂₄O₂

1,2,4,5-Tetraphenyl-1,5-pentanedione chemical structure, C29H24O2, CAS 41848-69-5

1,2,4,5-Tetraphenyl-1,5-pentanedione41848-69-5C₂₉H₂₄O₂

(13bR)-5,7-Dihydro-2,8-dimethoxy-3H-cyclopenta[6,7]cycloocta[2,1-a:3,4-a']dinaphthalene chemical structure, C29H24O2, CAS 1417714-07-8

(13bR)-5,7-Dihydro-2,8-dimethoxy-3H-cyclopenta[6,7]cycloocta[2,1-a:3,4-a']dinaphthalene1417714-07-8C₂₉H₂₄O₂

$10,20-Dimethoxyhexacyclo[17.8.0.0^{2,11}.0^{3,8}.0^{13,17}.0^{22,27}]heptacosa-1(19),2,4,6,8,10,13(17),15,20,22,24,26-dodecaene chemical structure, C29H24O2, CAS 1417714-08-9$

10,20-Dimethoxyhexacyclo[17.8.0.0^{2,11}.0^{3,8}.0^{13,17}.0^{22,27}]heptacosa-1(19),2,4,6,8,10,13(17),15,20,22,24,26-dodecaene1417714-08-9C₂₉H₂₄O₂

1,2,3,5-Tetraphenylpentane-1,5-dione chemical structure, C29H24O2, CAS 61764-77-0

1,2,3,5-Tetraphenylpentane-1,5-dione61764-77-0C₂₉H₂₄O₂

1,5-Pentanedione, 1,3,3,5-tetraphenyl- chemical structure, C29H24O2, CAS 58338-00-4

1,5-Pentanedione, 1,3,3,5-tetraphenyl-58338-00-4C₂₉H₂₄O₂

(11bR)-3,5-Dihydro-2,6-dimethoxyspiro[4H-cyclohepta[2,1-a:3,4-a']dinaphthalene-4,1'-[2,4]cyclopentadiene] chemical structure, C29H24O2, CAS 1417714-06-7

(11bR)-3,5-Dihydro-2,6-dimethoxyspiro[4H-cyclohepta[2,1-a:3,4-a']dinaphthalene-4,1'-[2,4]cyclopentadiene]1417714-06-7C₂₉H₂₄O₂

Agn-PC-00baxa chemical structure, C29H24O2, CAS 427375-39-1

Agn-PC-00baxa427375-39-1C₂₉H₂₄O₂

1,1'-[Methylenedi(4,1-phenylene)]bis(2-phenylethan-1-one) chemical structure, C29H24O2, CAS 56794-21-9

1,1'-[Methylenedi(4,1-phenylene)]bis(2-phenylethan-1-one)56794-21-9C₂₉H₂₄O₂

[Propane-2,2-diyldi(4,1-phenylene)]bis(phenylmethanone) chemical structure, C29H24O2, CAS 54887-69-3

[Propane-2,2-diyldi(4,1-phenylene)]bis(phenylmethanone)54887-69-3C₂₉H₂₄O₂

4-[6-[(Benzyl)oxy]-2-phenyl-3,4-dihydronaphthalen-1-yl]phenol chemical structure, C29H24O2, CAS 2097342-17-9

4-[6-[(Benzyl)oxy]-2-phenyl-3,4-dihydronaphthalen-1-yl]phenol2097342-17-9C₂₉H₂₄O₂

[4-(Benzyloxy)phenyl](1,2-diphenylcyclopropyl)methanone chemical structure, C29H24O2, CAS 61078-44-2

[4-(Benzyloxy)phenyl](1,2-diphenylcyclopropyl)methanone61078-44-2C₂₉H₂₄O₂

Frequently asked questions

Quick answers about Bms493, based on the data on this page

What is Bms493?

BMS-493 is a member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenylethynyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer). It has a role as a retinoic acid receptor antagonist.

What is the CAS number of Bms493?

The CAS registry number of Bms493 is 215030-90-3. Other or deprecated CAS numbers: 2329465-40-7.

What is the molecular formula and weight of Bms493?

The molecular formula of Bms493 is C29H24O2 and its molar mass is 404.51 g/mol.

What is Bms493 used for?

Known uses and roles of Bms493 include building blocks in research and laboratory, screening compounds in research and laboratory, antagonist, nuclear receptor modulator, pharmaceutical and 3 more.

Is Bms493 hazardous?

No GHS hazard classification for Bms493 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Bms493?

Bms493 is usually classified under HS code 291639 (Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bms493?

CompoundList lists 1 supplier of Bms493 in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Bms493?

Suppliers quote Bms493 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Bms493

Bms493

Key facts

What is Bms493?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Bms493 suppliers

Where suppliers are based

Send one request to many suppliers

Bms493 price

Uses and applications

Industries and functions

Roles

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Bms493?

What is the CAS number of Bms493?

What is the molecular formula and weight of Bms493?

What is Bms493 used for?

Is Bms493 hazardous?

What is the HS code of Bms493?

Where can I buy Bms493?

What is the price of Bms493?

Guides for buyers

Get quotes for Bms493

Key facts

What is Bms493?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Bms493 suppliers

Where suppliers are based

Send one request to many suppliers

Bms493 price

Uses and applications

Industries and functions

Roles

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Similar structures

Same formula isomers

Frequently asked questions

What is Bms493?

What is the CAS number of Bms493?

What is the molecular formula and weight of Bms493?

What is Bms493 used for?

Is Bms493 hazardous?

What is the HS code of Bms493?

Where can I buy Bms493?

What is the price of Bms493?

Guides for buyers

Get quotes for Bms493