Methyl 2-cyano-3-(furan-2-yl)but-2-enoate
TL;DR: Methyl 2-cyano-3-(furan-2-yl)but-2-enoate (CAS 63185-98-8) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 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)but-2-enoate
Also Known As: Methyl 2-cyano-3-(2-furyl)but-2-enoate, methyl 2-cyano-3-(furan-2-yl)but-2-enoate, 2-Butenoic acid, 2-cyano-3-(2-furanyl)-, methyl ester, 2-Butenoic acid, 2-cyano-3-(2-furanyl)-, methyl ester, (E)-, 2-Butenoic acid, 2-cyano-3-(2-furanyl)-, methyl ester, (Z)-
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.74968 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 395.50165 |
Chemical Identifiers
| CAS Number | 63185-98-8 |
|---|---|
| SMILES | CC(=C(C#N)C(=O)OC)C1=CC=CO1 |
Product Overview
Methyl 2-cyano-3-(furan-2-yl)but-2-enoate (CAS 63185-98-8), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: methyl 2-cyano-3-(furan-2-yl)but-2-enoate.
Chemical Property Profile of Methyl 2-cyano-3-(furan-2-yl)but-2-enoate
Property Insights of Methyl 2-cyano-3-(furan-2-yl)but-2-enoate
The XLogP value of 1.74968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-(furan-2-yl)but-2-enoate. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-3-(furan-2-yl)but-2-enoate. Following Lipinski's Rule of Five, Methyl 2-cyano-3-(furan-2-yl)but-2-enoate 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-yl)but-2-enoate?
The CAS number of Methyl 2-cyano-3-(furan-2-yl)but-2-enoate is 63185-98-8.
What is the molecular formula of Methyl 2-cyano-3-(furan-2-yl)but-2-enoate?
The molecular formula of Methyl 2-cyano-3-(furan-2-yl)but-2-enoate is C10H9NO3.
What is the molecular weight of Methyl 2-cyano-3-(furan-2-yl)but-2-enoate?
The molecular weight of Methyl 2-cyano-3-(furan-2-yl)but-2-enoate is 191.06 g/mol.
Where can I buy Methyl 2-cyano-3-(furan-2-yl)but-2-enoate?
You can request a quote for Methyl 2-cyano-3-(furan-2-yl)but-2-enoate 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-yl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-3-(furan-2-yl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.