Bms753
Also known as BMS 753, 4-[(1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl)amino]benzoic acid, 4-((1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl)amino)benzoic acid
Key facts
What buyers check first
- CAS number
- 215307-86-1
- Formula
- C21H21NO4
- Molar mass
- 351.40 g/mol
- EC number
- 803-095-4
- HS code
- 292429
- Category
- Screening compounds
What is Bms753?
Plain description, key identifiers and synonyms
BMS 753 is an isotype-selective retinoic acid receptor alpha (RARalpha) agonist.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 4-[(1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl)amino]benzoic acid
- CAS number
- 215307-86-1
- EC number
- 803-095-4
- Molecular formula
- C21H21NO4
- MDL number
- MFCD18384955
- InChIKey
- KFBPBWUZXBYJDG-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)
- SMILES (canonical and isomeric)
- CC1(C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C(C1=O)(C)C)C
Synonyms
- BMS 753
- 4-[(1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl)amino]benzoic acid
- 4-((1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl)amino)benzoic acid
- 4-[[(2,3-Dihydro-1,1,3,3-tetramethyl-2-oxo-1H-inden-5-yl)carbonyl]amino]-benzoic acid
- 4-[[(2,3-Dihydro-1,1,3,3-tetramethyl-2-oxo-1H-inden-5-yl)carbonyl]amino]benzoic acid
- BMS 753, >=98% (HPLC)
- 4-[(1,1,3,3-tetramethyl-2-oxo-indane-5-carbonyl)amino]benzoic acid
- 4-(1,1,3,3-tetramethyl-2-oxo-2,3-dihydro-1H-indene-5-carboxamido)benzoic acid
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 | 351.40 g/molcalc.Computed value |
|---|---|
| Exact mass | 351.1471 Dacalc.Computed value |
| LogP (octanol/water) | 3.78calc.Computed value |
| Topological polar surface area | 83.47 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 3calc.Computed value |
| Heavy atoms | 26calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.29calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C1Cc2ccc(C(=O)Nc3ccccc3)cc2C1
3 rings, 19 atoms.
No other chemical in our database has this scaffold.
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
Precautionary statements (5)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P317If swallowed: Get medical help.
- P330Rinse mouth.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidBms753 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Bms753 can send you quotes. Your contact details stay private until you accept a quote.
Bms753 price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
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 Bms753 is traded under.
Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other
- China32.3%
- Switzerland * partner reported13.6%
- Norway * partner reported12.8%
- United States15.9%
- Ireland15.8%
- Germany11.9%
* Partner reported figures, a lower bound.
The HS code shown for Bms753 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Bms753, based on the data on this page
What is Bms753?
What is the CAS number of Bms753?
What is the molecular formula and weight of Bms753?
What is Bms753 used for?
Is Bms753 hazardous?
What is the HS code of Bms753?
Where can I buy Bms753?
What is the price of Bms753?
Guides for buyers
Practical guides that help when you source, ship or handle Bms753
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
Get quotes for Bms753
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Bms753 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/bms753-215307-86-1" title="Bms753 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Screening compounds or HS code 292429