2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
TL;DR: 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid (CAS 37630-52-7) 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.
2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Also Known As: 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid, alpha-Cyano-3,4-dimethoxycinnamicacid, Alpha-cyano-3,4-dimethoxycinnamic acid, 2-Propenoic acid,2-cyano-3-(3,4-dimethoxyphenyl)-, alpha- Cyano- 3, 4- dimethoxycinnamic acid
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 79.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 37630-52-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=C(C#N)C(=O)O)OC |
| InChIKey | DMACYVMZKYRYSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid (CAS 37630-52-7), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Property Insights of 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid has 1 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-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid?
The CAS number of 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid is 37630-52-7.
What is the molecular formula of 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid?
The molecular formula of 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid is C12H11NO4.
What is the molecular weight of 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid?
The molecular weight of 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid is 233.07 g/mol.
Where can I buy 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid?
You can request a quote for 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(3,4-dimethoxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.