(5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid
TL;DR: (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid (CAS 101284-22-4) is a chemical compound with molecular formula C16H15NO4 and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-cyano-2-(4-methoxyphenyl)-6-oxocyclohexen-1-yl]acetic acid
Also Known As: (5-CYANO-2-(4-METHOXY-PHENYL)-6-OXO-CYCLOHEX-1-ENYL)-ACETIC ACID, 2-[5-cyano-2-(4-methoxyphenyl)-6-oxo-1-cyclohexenyl]acetic Acid, 2-[5-cyano-2-(4-methoxyphenyl)-6-oxocyclohexen-1-yl]acetic acid, 2-[5-cyano-2-(4-methoxyphenyl)-6-oxocyclohex-1-en-1-yl]acetic acid, 682-951-7
| Molecular Formula | C16H15NO4 |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 2.42618 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.1001 |
| Heavy Atoms | 21 |
| Complexity | 637.23596 |
Chemical Identifiers
| CAS Number | 101284-22-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=O)C(CC2)C#N)CC(=O)O |
Product Overview
(5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid (CAS 101284-22-4), with molecular formula C16H15NO4 and molecular weight 285.10 g/mol. IUPAC: 2-[5-cyano-2-(4-methoxyphenyl)-6-oxocyclohexen-1-yl]acetic acid.
Chemical Property Profile of (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid
Property Insights of (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid
The XLogP value of 2.42618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid. Following Lipinski's Rule of Five, (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid?
The CAS number of (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid is 101284-22-4.
What is the molecular formula of (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid?
The molecular formula of (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid is C16H15NO4.
What is the molecular weight of (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid?
The molecular weight of (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid is 285.10 g/mol.
Where can I buy (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid?
You can request a quote for (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Cyano-2-(4-methoxy-phenyl)-6-oxo-cyclohex-1-enyl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.