Benzofuran-2-carboxylic acid cyanomethyl ester
TL;DR: Benzofuran-2-carboxylic acid cyanomethyl ester (CAS 93641-39-5) is a chemical compound with molecular formula C11H7NO3 and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethyl 1-benzofuran-2-carboxylate
Also Known As: cyanomethyl 1-benzofuran-2-carboxylate, 2-Benzofurancarboxylic acid, cyanomethyl ester, benzofuran-2-carboxylic acid cyanomethyl ester
| Molecular Formula | C11H7NO3 |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 2.11318 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.04259 |
| Heavy Atoms | 15 |
| Complexity | 503.00177 |
Chemical Identifiers
| CAS Number | 93641-39-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)OCC#N |
Product Overview
Benzofuran-2-carboxylic acid cyanomethyl ester (CAS 93641-39-5), with molecular formula C11H7NO3 and molecular weight 201.04 g/mol. IUPAC: cyanomethyl 1-benzofuran-2-carboxylate.
Chemical Property Profile of Benzofuran-2-carboxylic acid cyanomethyl ester
Property Insights of Benzofuran-2-carboxylic acid cyanomethyl ester
The XLogP value of 2.11318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzofuran-2-carboxylic acid cyanomethyl ester. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzofuran-2-carboxylic acid cyanomethyl ester. Following Lipinski's Rule of Five, Benzofuran-2-carboxylic acid cyanomethyl ester 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 Benzofuran-2-carboxylic acid cyanomethyl ester?
The CAS number of Benzofuran-2-carboxylic acid cyanomethyl ester is 93641-39-5.
What is the molecular formula of Benzofuran-2-carboxylic acid cyanomethyl ester?
The molecular formula of Benzofuran-2-carboxylic acid cyanomethyl ester is C11H7NO3.
What is the molecular weight of Benzofuran-2-carboxylic acid cyanomethyl ester?
The molecular weight of Benzofuran-2-carboxylic acid cyanomethyl ester is 201.04 g/mol.
Where can I buy Benzofuran-2-carboxylic acid cyanomethyl ester?
You can request a quote for Benzofuran-2-carboxylic acid cyanomethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzofuran-2-carboxylic acid cyanomethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzofuran-2-carboxylic acid cyanomethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.