Benzo(b)thiophene-3-acetic acid, 5-methyl-
TL;DR: Benzo(b)thiophene-3-acetic acid, 5-methyl- (CAS 1735-12-2) is a chemical compound with molecular formula C11H10O2S and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-1-benzothiophen-3-yl)acetic acid
Also Known As: Fragment 7, 2-(5-methyl-1-benzothiophen-3-yl)acetic acid, Benzo(b)thiophene-3-acetic acid, 5-methyl-, Benzo[b]thiophene-3-acetic acid, 5-methyl-, 5-Methylbenzo(b)thiophene-3-acetic acid
| Molecular Formula | C11H10O2S |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.04015 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 1735-12-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC=C2CC(=O)O |
| InChIKey | KYZMXUFJGWTSOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzo(b)thiophene-3-acetic acid, 5-methyl- (CAS 1735-12-2), with molecular formula C11H10O2S and molecular weight 206.04 g/mol. IUPAC: 2-(5-methyl-1-benzothiophen-3-yl)acetic acid.
Chemical Property Profile of Benzo(b)thiophene-3-acetic acid, 5-methyl-
Property Insights of Benzo(b)thiophene-3-acetic acid, 5-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene-3-acetic acid, 5-methyl-. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophene-3-acetic acid, 5-methyl-. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-acetic acid, 5-methyl- has 1 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 Benzo(b)thiophene-3-acetic acid, 5-methyl-?
The CAS number of Benzo(b)thiophene-3-acetic acid, 5-methyl- is 1735-12-2.
What is the molecular formula of Benzo(b)thiophene-3-acetic acid, 5-methyl-?
The molecular formula of Benzo(b)thiophene-3-acetic acid, 5-methyl- is C11H10O2S.
What is the molecular weight of Benzo(b)thiophene-3-acetic acid, 5-methyl-?
The molecular weight of Benzo(b)thiophene-3-acetic acid, 5-methyl- is 206.04 g/mol.
Where can I buy Benzo(b)thiophene-3-acetic acid, 5-methyl-?
You can request a quote for Benzo(b)thiophene-3-acetic acid, 5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)thiophene-3-acetic acid, 5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-acetic acid, 5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.