3-Methyl-1-benzofuran-2-carboxylate
TL;DR: 3-Methyl-1-benzofuran-2-carboxylate (CAS 24673-56-1) is a chemical compound with molecular formula C10H7O3- and molecular weight 175.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-benzofuran-2-carboxylate
Also Known As: 3-methyl-1-benzofuran-2-carboxylate, 3-Methylbenzofuran-2-carboxylic acid
| Molecular Formula | C10H7O3- |
|---|---|
| Molecular Weight | 175.04 g/mol |
| LogP | 1.10472 |
| Topological Polar Surface Area | 53.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.03952 |
| Heavy Atoms | 13 |
| Complexity | 467.97464 |
Chemical Identifiers
| CAS Number | 24673-56-1 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)[O-] |
Product Overview
3-Methyl-1-benzofuran-2-carboxylate (CAS 24673-56-1), with molecular formula C10H7O3- and molecular weight 175.04 g/mol. IUPAC: 3-methyl-1-benzofuran-2-carboxylate.
Chemical Property Profile of 3-Methyl-1-benzofuran-2-carboxylate
Property Insights of 3-Methyl-1-benzofuran-2-carboxylate
The XLogP value of 1.10472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-benzofuran-2-carboxylate. With a topological polar surface area (TPSA) of 53.27 Ų, 3-Methyl-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-benzofuran-2-carboxylate 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-1-benzofuran-2-carboxylate?
The CAS number of 3-Methyl-1-benzofuran-2-carboxylate is 24673-56-1.
What is the molecular formula of 3-Methyl-1-benzofuran-2-carboxylate?
The molecular formula of 3-Methyl-1-benzofuran-2-carboxylate is C10H7O3-.
What is the molecular weight of 3-Methyl-1-benzofuran-2-carboxylate?
The molecular weight of 3-Methyl-1-benzofuran-2-carboxylate is 175.04 g/mol.
Where can I buy 3-Methyl-1-benzofuran-2-carboxylate?
You can request a quote for 3-Methyl-1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.