2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester (CAS 10353-07-8) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate
Also Known As: EINECS 233-770-3, methyl 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate, alpha-cyano-3,4-dimethoxycinnamic methyl ester, 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester, Methyl 2-Cyano-3-(3,4-Dimethoxyphenyl)2-Propenoate
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.78378 |
| Topological Polar Surface Area | 68.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 514.21277 |
Chemical Identifiers
| CAS Number | 10353-07-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C#N)C(=O)OC)OC |
Product Overview
2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester (CAS 10353-07-8), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: methyl 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester
The XLogP value of 1.78378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester. The TPSA of 68.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester has 0 hydrogen bond donor(s) and 5 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-(3,4-dimethoxyphenyl)-, methyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester is 10353-07-8.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester is C13H13NO4.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester is 247.08 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, 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-(3,4-dimethoxyphenyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-(3,4-dimethoxyphenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.