Benzo(b)thiophene-3-acetic acid, 5-bromo-
TL;DR: Benzo(b)thiophene-3-acetic acid, 5-bromo- (CAS 17266-45-4) is a chemical compound with molecular formula C10H7BrO2S and molecular weight 269.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-1-benzothiophen-3-yl)acetic acid
Also Known As: 2-(5-bromo-1-benzothiophen-3-yl)acetic acid, Benzo(b)thiophene-3-acetic acid, 5-bromo-, 5-Bromobenzo(b)thiophene-3-acetic acid, Benzo[b]thiophene-3-aceticacid, 5-bromo-, 5-Brom-benzo[b]-thiophen-3-essigsaure
| Molecular Formula | C10H7BrO2S |
|---|---|
| Molecular Weight | 269.94 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.935 |
| Heavy Atoms | 14 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 17266-45-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=CS2)CC(=O)O |
| InChIKey | ZCOAKUJOOQOKHY-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-bromo- (CAS 17266-45-4), with molecular formula C10H7BrO2S and molecular weight 269.94 g/mol. IUPAC: 2-(5-bromo-1-benzothiophen-3-yl)acetic acid.
Chemical Property Profile of Benzo(b)thiophene-3-acetic acid, 5-bromo-
Property Insights of Benzo(b)thiophene-3-acetic acid, 5-bromo-
The XLogP value of 3.1 indicates that Benzo(b)thiophene-3-acetic acid, 5-bromo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophene-3-acetic acid, 5-bromo-. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-acetic acid, 5-bromo- 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-bromo-?
The CAS number of Benzo(b)thiophene-3-acetic acid, 5-bromo- is 17266-45-4.
What is the molecular formula of Benzo(b)thiophene-3-acetic acid, 5-bromo-?
The molecular formula of Benzo(b)thiophene-3-acetic acid, 5-bromo- is C10H7BrO2S.
What is the molecular weight of Benzo(b)thiophene-3-acetic acid, 5-bromo-?
The molecular weight of Benzo(b)thiophene-3-acetic acid, 5-bromo- is 269.94 g/mol.
Where can I buy Benzo(b)thiophene-3-acetic acid, 5-bromo-?
You can request a quote for Benzo(b)thiophene-3-acetic acid, 5-bromo- 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-bromo-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-acetic acid, 5-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.