3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester
TL;DR: 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester (CAS 40800-94-0) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-ethyl-1-benzofuran-3-carboxylate
Also Known As: methyl 2-ethylbenzofuran-3-carboxylate, Methyl 2-ethyl-1-benzofuran-3-carboxylate, Methyl 2-ethyl-1-benzofuran-3-carboxylate #, 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester, 2-Ethyl-3-benzofurancarboxylic acid methyl ester
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 40800-94-0 |
|---|---|
| SMILES | CCC1=C(C2=CC=CC=C2O1)C(=O)OC |
| InChIKey | YOMJFPMVULVXSF-UHFFFAOYSA-N |
Product Overview
3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester (CAS 40800-94-0), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: methyl 2-ethyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester
Property Insights of 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester
The XLogP value of 3.0 indicates that 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester 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 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester?
The CAS number of 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester is 40800-94-0.
What is the molecular formula of 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester?
The molecular formula of 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester is C12H12O3.
What is the molecular weight of 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester?
The molecular weight of 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester is 204.08 g/mol.
Where can I buy 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester?
You can request a quote for 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzofurancarboxylic acid, 2-ethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.