Methyl 2-cyano-3-furan-2-ylacrylate
TL;DR: Methyl 2-cyano-3-furan-2-ylacrylate (CAS 3695-86-1) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-3-(furan-2-yl)prop-2-enoate
Also Known As: Methyl 2-furalcyanoacetate, methyl 2-cyano-3-furan-2-ylacrylate, Methyl 2-cyano-3-(furan-2-yl)propenoate, alpha-Cyano-2-furanacrylic acid methyl ester, Methyl 2-cyano-3-(2-furanyl)-2-propenoate
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 3695-86-1 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=CO1)C#N |
| InChIKey | KRGNLCAXPGOHQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-cyano-3-furan-2-ylacrylate (CAS 3695-86-1), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: methyl 2-cyano-3-(furan-2-yl)prop-2-enoate.
Chemical Property Profile of Methyl 2-cyano-3-furan-2-ylacrylate
Property Insights of Methyl 2-cyano-3-furan-2-ylacrylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-furan-2-ylacrylate. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-3-furan-2-ylacrylate. Following Lipinski's Rule of Five, Methyl 2-cyano-3-furan-2-ylacrylate has 0 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 Methyl 2-cyano-3-furan-2-ylacrylate?
The CAS number of Methyl 2-cyano-3-furan-2-ylacrylate is 3695-86-1.
What is the molecular formula of Methyl 2-cyano-3-furan-2-ylacrylate?
The molecular formula of Methyl 2-cyano-3-furan-2-ylacrylate is C9H7NO3.
What is the molecular weight of Methyl 2-cyano-3-furan-2-ylacrylate?
The molecular weight of Methyl 2-cyano-3-furan-2-ylacrylate is 177.04 g/mol.
Where can I buy Methyl 2-cyano-3-furan-2-ylacrylate?
You can request a quote for Methyl 2-cyano-3-furan-2-ylacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cyano-3-furan-2-ylacrylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-furan-2-ylacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.