Methyl beta-cyano-alpha-hydroxycinnamate
TL;DR: Methyl beta-cyano-alpha-hydroxycinnamate (CAS 200633-67-6) 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 3-cyano-2-hydroxy-3-phenylprop-2-enoate
Also Known As: METHYL BETA-CYANO-ALPHA-HYDROXYCINNAMATE, methyl 3-cyano-2-hydroxy-3-phenylprop-2-enoate, Acrylic acid, 3-cyano-2-hydroxy-3-phenyl-, methyl ester
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.65228 |
| Topological Polar Surface Area | 70.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 428.8963 |
Chemical Identifiers
| CAS Number | 200633-67-6 |
|---|---|
| SMILES | COC(=O)C(=C(C#N)C1=CC=CC=C1)O |
Product Overview
Methyl beta-cyano-alpha-hydroxycinnamate (CAS 200633-67-6), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: methyl 3-cyano-2-hydroxy-3-phenylprop-2-enoate.
Chemical Property Profile of Methyl beta-cyano-alpha-hydroxycinnamate
Property Insights of Methyl beta-cyano-alpha-hydroxycinnamate
The XLogP value of 1.65228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl beta-cyano-alpha-hydroxycinnamate. The TPSA of 70.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl beta-cyano-alpha-hydroxycinnamate. Following Lipinski's Rule of Five, Methyl beta-cyano-alpha-hydroxycinnamate 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 Methyl beta-cyano-alpha-hydroxycinnamate?
The CAS number of Methyl beta-cyano-alpha-hydroxycinnamate is 200633-67-6.
What is the molecular formula of Methyl beta-cyano-alpha-hydroxycinnamate?
The molecular formula of Methyl beta-cyano-alpha-hydroxycinnamate is C11H9NO3.
What is the molecular weight of Methyl beta-cyano-alpha-hydroxycinnamate?
The molecular weight of Methyl beta-cyano-alpha-hydroxycinnamate is 203.06 g/mol.
Where can I buy Methyl beta-cyano-alpha-hydroxycinnamate?
You can request a quote for Methyl beta-cyano-alpha-hydroxycinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl beta-cyano-alpha-hydroxycinnamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl beta-cyano-alpha-hydroxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.