Cyclopenol (CAS 20007-85-6): price, suppliers and safety

What is Cyclopenol?

Plain description, key identifiers and synonyms

Cyclopenol is a chemical substance with the molecular formula C17H14N2O4 and a molar mass of 310.31 g/mol. Its CAS registry number is 20007-85-6. The IUPAC name is (3S,3'R)-3'-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: (3S,3'R)-3'-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
CAS number: 20007-85-6 CAS number cross-checked
EC number: 803-267-9
Molecular formula: C₁₇H₁₄N₂O₄
UNII: 4Q2498L80A
MDL number: MFCD24849291
InChIKey: BDDNYDPRCCDQQJ-PBHICJAKSA-N
InChI: InChI=1S/C17H14N2O4/c1-19-15(21)12-7-2-3-8-13(12)18-16(22)17(19)14(23-17)10-5-4-6-11(20)9-10/h2-9,14,20H,1H3,(H,18,22)/t14-,17+/m1/s1
Canonical SMILES: CN1C(=O)c2ccccc2NC(=O)C12OC2c1cccc(O)c1
Isomeric SMILES: CN1C(=O)C2=CC=CC=C2NC(=O)[C@@]13[C@H](O3)C4=CC(=CC=C4)O

Synonyms

(-)-Cyclopenol
Spiro(3H-1,4-benzodiazepine-3,2'-oxirane)-2,5(1H,4H)-dione, 3'-(3-hydroxyphenyl)-4-methyl-, cis-(-)-
(3S,3'R)-3'-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
(?)-Cyclopenol
(a?-Cyclopenol
( C)-Cyclopenol
Cyclopenol, (-)-
MEGxm0_000047
ACon0_000793
ACon1_000429
Cyclopenol, >=95% (LC/MS-ELSD)
(2'S,3'R)-3'-(3-hydroxyphenyl)-4-methyl-spiro[3H-1,4-benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione
(2's,3'r)-3'-(3-Hydroxyphenyl)-4-methylspiro(3H-1,4-benzodiazepine-3,2'-oxirane)-2,5(1H,4H)-dione
(2'S,3'R)-3'-(3-Hydroxyphenyl)-4-methylspiro[[1,4]benzodiazepine-3,2'-oxirane]-2,5(1H,4H)-dione
(3S,3''R)-3''-(3-hydroxyphenyl)-4-methyl-spiro[1H-1,4-benzodiazepine-3,2''-oxirane]-2,5-dione
(3S,3''R)-3''-(3-hydroxyphenyl)-4-methyl-spiro[1H-1,4-benzodiazepine-3,2''-oxirane]-2,5-quinone
(3S,3''R)-3''-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2''-oxirane]-2,5-dione
(3S,3'R)-3'-(3-hydroxyphenyl)-4-methyl-spiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
Spiro(3H-1,4-benzodiazepine-3,2'-oxirane)-2,5(1H,4H)-dione, 3'-(3-hydroxyphenyl)-4-methyl-, (2's,3'r)-

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	310.31 g/molcalc.
Exact mass	310.0954 Dacalc.
LogP (octanol/water)	1.88calc.
Topological polar surface area	82.17 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	4calc.
Rotatable bonds	1calc.
Heavy atoms	23calc.
Rings	4calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.18calc.
Formal charge	0calc.
Stereocentres	2calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C1NC2(OC2c2ccccc2)C(=O)Nc2ccccc21

4 rings, 21 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word

Warning

Harmful or irritant

Hazardous to the environment

Hazard statements

H302Harmful if swallowed.
H400Very toxic to aquatic life.
H410Very toxic to aquatic life with long lasting effects.

Precautionary statements (7)

P264Wash skin thoroughly after handling.
P270Do not eat, drink or smoke when using this product.
P273Avoid release to the environment.
P301 + P317If swallowed: Get medical help.
P330Rinse mouth.
P391Collect spillage.
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 aid

Cyclopenol suppliers

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Cyclopenol 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

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 Cyclopenol is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024

$16.2B

−64.4% vs 2023, imports $15.4B

2019 to 2024

Top exporters

Ireland37.0%
France * partner reported15.6%
Spain11.3%

Top importers

Germany27.8%
Ireland18.9%
Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Cyclopenol 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

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

(-)-Cyclopenine chemical structure, C17H14N2O3, CAS 19357-57-4

Same formula isomers

Different compounds that share this molecular formula

All isomers

6-Methoxy-2-oxo-N-(3-pyridinylmethyl)-1-benzopyran-3-carboxamide chemical structure, C17H14N2O4, CAS 431918-34-2

6-Methoxy-2-oxo-N-(3-pyridinylmethyl)-1-benzopyran-3-carboxamide431918-34-2C₁₇H₁₄N₂O₄

8-Methoxy-N-(6-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide chemical structure, C17H14N2O4, CAS 505067-77-6

8-Methoxy-N-(6-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide505067-77-6C₁₇H₁₄N₂O₄

N-(Veratrylideneamino)-phthalimide chemical structure, C17H14N2O4, CAS 158529-52-3

N-(Veratrylideneamino)-phthalimide158529-52-3C₁₇H₁₄N₂O₄

N-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(4-methoxyphenyl)acetamide chemical structure, C17H14N2O4, CAS 349621-53-0

N-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-(4-methoxyphenyl)acetamide349621-53-0C₁₇H₁₄N₂O₄

5-Methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione chemical structure, C17H14N2O4, CAS 288102-94-3

5-Methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione288102-94-3C₁₇H₁₄N₂O₄

4-Hydroxy-N-(2-methoxyphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide chemical structure, C17H14N2O4, CAS 302922-42-5

4-Hydroxy-N-(2-methoxyphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide302922-42-5C₁₇H₁₄N₂O₄

2-Amino-4-(1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H14N2O4, CAS 304869-58-7

2-Amino-4-(1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile304869-58-7C₁₇H₁₄N₂O₄

N-(1,3-Dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-(2-methoxyphenyl)acetamide chemical structure, C17H14N2O4, CAS 665025-61-6

N-(1,3-Dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-(2-methoxyphenyl)acetamide665025-61-6C₁₇H₁₄N₂O₄

4-{[2-(Anilinocarbonyl)phenyl]amino}-4-oxo-2-butenoic acid chemical structure, C17H14N2O4, CAS 1164507-38-3

4-{[2-(Anilinocarbonyl)phenyl]amino}-4-oxo-2-butenoic acid1164507-38-3C₁₇H₁₄N₂O₄

Benzoic acid, 2-(2-hydroxy-1,4-dioxo-4-phenyl-2-butenyl)hydrazide, (Z)- chemical structure, C17H14N2O4, CAS 124928-27-4

Benzoic acid, 2-(2-hydroxy-1,4-dioxo-4-phenyl-2-butenyl)hydrazide, (Z)-124928-27-4C₁₇H₁₄N₂O₄

N-(1,3-Dioxoisoindol-2-yl)-2-(2-methoxyphenyl)acetamide chemical structure, C17H14N2O4, CAS 404838-11-5

N-(1,3-Dioxoisoindol-2-yl)-2-(2-methoxyphenyl)acetamide404838-11-5C₁₇H₁₄N₂O₄

2-(2-Cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide chemical structure, C17H14N2O4, CAS 865277-66-3

2-(2-Cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide865277-66-3C₁₇H₁₄N₂O₄

Frequently asked questions

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

What is Cyclopenol?

Cyclopenol is a chemical substance with the molecular formula C17H14N2O4 and a molar mass of 310.31 g/mol. Its CAS registry number is 20007-85-6. The IUPAC name is (3S,3'R)-3'-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione.

What is the CAS number of Cyclopenol?

The CAS registry number of Cyclopenol is 20007-85-6.

What is the molecular formula and weight of Cyclopenol?

The molecular formula of Cyclopenol is C17H14N2O4 and its molar mass is 310.31 g/mol.

What is Cyclopenol used for?

Known uses and roles of Cyclopenol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cyclopenol hazardous?

Cyclopenol carries the GHS signal word "Warning". Main hazards: harmful if swallowed, very toxic to aquatic life, very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Cyclopenol?

Cyclopenol is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cyclopenol?

Post a free request on CompoundList and suppliers of Cyclopenol will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cyclopenol?

Suppliers quote Cyclopenol 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 Cyclopenol

Cyclopenol

Key facts

What is Cyclopenol?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Cyclopenol suppliers

Cyclopenol price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Cyclopenol?

What is the CAS number of Cyclopenol?

What is the molecular formula and weight of Cyclopenol?

What is Cyclopenol used for?

Is Cyclopenol hazardous?

What is the HS code of Cyclopenol?

Where can I buy Cyclopenol?

What is the price of Cyclopenol?

Guides for buyers

Get quotes for Cyclopenol

Key facts

What is Cyclopenol?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Cyclopenol suppliers

Cyclopenol price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is Cyclopenol?

What is the CAS number of Cyclopenol?

What is the molecular formula and weight of Cyclopenol?

What is Cyclopenol used for?

Is Cyclopenol hazardous?

What is the HS code of Cyclopenol?

Where can I buy Cyclopenol?

What is the price of Cyclopenol?

Guides for buyers

Get quotes for Cyclopenol