2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester (CAS 591733-97-0) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester, methyl 2-cyano-3-(4-hydroxyphenyl)prop-2-enoate, methyl alpha-cyano-4-hydroxycinnamate, BAS 00381295, Methyl alpha- cyano- 4- hydroxycinnamate
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 591733-97-0 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=C(C=C1)O)C#N |
| InChIKey | SSJMWLROUBFBOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester (CAS 591733-97-0), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: methyl 2-cyano-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester 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 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester is 591733-97-0.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester is C11H9NO3.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester is 203.06 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(4-hydroxyphenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.