![2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester structure](/static/products/1102/110233-69-7.webp)
2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester
TL;DR: 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester (CAS 110233-69-7) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-acetamidophenyl)-2-cyanoprop-2-enoate
Also Known As: methyl 3-(4-acetamidophenyl)-2-cyanoprop-2-enoate, 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester, methyl 2-Cyano-3-(4-Acetamidophenyl)propenoate, 2-Propenoic acid,3-[4-(acetylamino)phenyl]-2-cyano-,methyl ester
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 110233-69-7 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C=C(C#N)C(=O)OC |
| InChIKey | ZZKGGAYDHNIOPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester (CAS 110233-69-7), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: methyl 3-(4-acetamidophenyl)-2-cyanoprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester
Property Insights of 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester 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 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester?
The CAS number of 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester is 110233-69-7.
What is the molecular formula of 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester?
The molecular formula of 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester is C13H12N2O3.
What is the molecular weight of 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester?
The molecular weight of 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester is 244.08 g/mol.
Where can I buy 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester?
You can request a quote for 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, 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, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-[4-(acetylamino)phenyl]-2-cyano-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.