(2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
TL;DR: (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide (CAS 15845-67-7) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 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-enamide
Also Known As: BAS 15345478, 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide, (E)-2-Cyano-3-(3,4-dimethoxy-phenyl)-acrylamide, (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide, (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.09608 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 500.96246 |
Chemical Identifiers
| CAS Number | 15845-67-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)N)OC |
Product Overview
(2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide (CAS 15845-67-7), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide.
Chemical Property Profile of (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
Property Insights of (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
The XLogP value of 1.09608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide 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)prop-2-enamide?
The CAS number of (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide is 15845-67-7.
What is the molecular formula of (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The molecular formula of (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide is C12H12N2O3.
What is the molecular weight of (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The molecular weight of (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide is 232.08 g/mol.
Where can I buy (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide?
You can request a quote for (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide 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)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.