Methyl 3-cyano-acrylate
TL;DR: Methyl 3-cyano-acrylate (CAS 925-56-4) is a chemical compound with molecular formula COC(=O)C=CC#N and molecular weight 111.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-cyanoprop-2-enoate
Also Known As: Methyl 3-cyanoacrylate, methyl 3-cyano-acrylate, methyl (E)-3-cyanoprop-2-enoate, 2-Propenoic acid, 3-cyano-, methyl ester, (Z)-
| Molecular Formula | COC(=O)C=CC#N |
|---|---|
| Molecular Weight | 111.03 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 111.03203 |
| Heavy Atoms | 8 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 925-56-4 |
|---|---|
| SMILES | COC(=O)C=CC#N |
| InChIKey | AJXIQWIGXITQSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-cyano-acrylate (CAS 925-56-4), with molecular formula COC(=O)C=CC#N and molecular weight 111.03 g/mol. IUPAC: methyl 3-cyanoprop-2-enoate.
Chemical Property Profile of Methyl 3-cyano-acrylate
Property Insights of Methyl 3-cyano-acrylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-cyano-acrylate. With a topological polar surface area (TPSA) of 50.1 Ų, Methyl 3-cyano-acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-cyano-acrylate has 0 hydrogen bond donor(s) and 3 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 Methyl 3-cyano-acrylate?
The CAS number of Methyl 3-cyano-acrylate is 925-56-4.
What is the molecular formula of Methyl 3-cyano-acrylate?
The molecular formula of Methyl 3-cyano-acrylate is COC(=O)C=CC#N.
What is the molecular weight of Methyl 3-cyano-acrylate?
The molecular weight of Methyl 3-cyano-acrylate is 111.03 g/mol.
Where can I buy Methyl 3-cyano-acrylate?
You can request a quote for Methyl 3-cyano-acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-cyano-acrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-cyano-acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.