Methyl benzo(b)thiophene-2-carboxylate
TL;DR: Methyl benzo(b)thiophene-2-carboxylate (CAS 22913-24-2) is a chemical compound with molecular formula C10H8O2S and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzothiophene-2-carboxylate
Also Known As: Methyl benzo[b]thiophene-2-carboxylate, methyl 1-benzothiophene-2-carboxylate, Maybridge1_001812, Benzo[b]thiophene-2-carboxylic acid, methyl ester, Methyl thianaphthene-2-carboxylate
| Molecular Formula | C10H8O2S |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 2.6879 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.0245 |
| Heavy Atoms | 13 |
| Complexity | 411.8764 |
Chemical Identifiers
| CAS Number | 22913-24-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=CC=CC=C2S1 |
Product Overview
Methyl benzo(b)thiophene-2-carboxylate (CAS 22913-24-2), with molecular formula C10H8O2S and molecular weight 192.02 g/mol. IUPAC: methyl 1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl benzo(b)thiophene-2-carboxylate
Property Insights of Methyl benzo(b)thiophene-2-carboxylate
The XLogP value of 2.6879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl benzo(b)thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl benzo(b)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl benzo(b)thiophene-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 Methyl benzo(b)thiophene-2-carboxylate?
The CAS number of Methyl benzo(b)thiophene-2-carboxylate is 22913-24-2.
What is the molecular formula of Methyl benzo(b)thiophene-2-carboxylate?
The molecular formula of Methyl benzo(b)thiophene-2-carboxylate is C10H8O2S.
What is the molecular weight of Methyl benzo(b)thiophene-2-carboxylate?
The molecular weight of Methyl benzo(b)thiophene-2-carboxylate is 192.02 g/mol.
Where can I buy Methyl benzo(b)thiophene-2-carboxylate?
You can request a quote for Methyl benzo(b)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl benzo(b)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl benzo(b)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.