(2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid
TL;DR: (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid (CAS 86213-20-9) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Also Known As: Alpha-cyano-3,4-dimethoxycinnamic acid, 2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid, (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid, (2E)-2-CYANO-3-(3,4-DIMETHOXYPHENYL)PROP-2-ENOIC ACID, (e)-2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.69538 |
| Topological Polar Surface Area | 79.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 499.71735 |
Chemical Identifiers
| CAS Number | 86213-20-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)O)OC |
Product Overview
(2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid (CAS 86213-20-9), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid
Property Insights of (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid
The XLogP value of 1.69538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid. The TPSA of 79.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid. Following Lipinski's Rule of Five, (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic 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 (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid?
The CAS number of (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid is 86213-20-9.
What is the molecular formula of (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid?
The molecular formula of (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid is C12H11NO4.
What is the molecular weight of (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid?
The molecular weight of (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid is 233.07 g/mol.
Where can I buy (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid?
You can request a quote for (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-Cyano-3-(3,4-dimethoxyphenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.