3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester
TL;DR: 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester (CAS 39891-57-1) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2H-1-benzofuran-3-carboxylate
Also Known As: 3-methyl-3-methoxycarbonyl-2,3-dihydrobenzofuran, J2.439.454I, Methyl 3-methyl-2,3-dihydro-1-benzofuran-3-carboxylate, methyl 3-methyl-2H-1-benzofuran-3-carboxylate, Methyl 3-methyl-2,3-dihydro-1-benzofuran-3-carboxylate #
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 39891-57-1 |
|---|---|
| SMILES | CC1(COC2=CC=CC=C21)C(=O)OC |
| InChIKey | FVWYXVZMDAFQLW-UHFFFAOYSA-N |
Product Overview
3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester (CAS 39891-57-1), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: methyl 3-methyl-2H-1-benzofuran-3-carboxylate.
Chemical Property Profile of 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester
Property Insights of 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, 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-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester?
The CAS number of 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester is 39891-57-1.
What is the molecular formula of 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester?
The molecular formula of 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester is C11H12O3.
What is the molecular weight of 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester?
The molecular weight of 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester is 192.08 g/mol.
Where can I buy 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester?
You can request a quote for 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, 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-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,3-dihydrobenzofuran-3-carboxylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.