3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid
TL;DR: 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid (CAS 588676-90-8) is a chemical compound with molecular formula C9H4ClFO2S and molecular weight 229.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-fluoro-1-benzothiophene-2-carboxylic acid
Also Known As: 3-chloro-4-fluoro-1-benzothiophene-2-carboxylic acid, 3-chloro-4-fluorobenzo[b]thiophene-2-carboxylic acid, 3-chloro-4-fluoro-benzothiophene-2-carboxylic Acid, Benzo[b]thiophene-2-carboxylic acid, 3-chloro-4-fluoro- (9CI), 3-chloro-4-fluorobenzo[b]thiophene-2-carboxylicacid
| Molecular Formula | C9H4ClFO2S |
|---|---|
| Molecular Weight | 229.96 g/mol |
| LogP | 3.392 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.96045 |
| Heavy Atoms | 14 |
| Complexity | 520.75146 |
Chemical Identifiers
| CAS Number | 588676-90-8 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)SC(=C2Cl)C(=O)O)F |
Product Overview
3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid (CAS 588676-90-8), with molecular formula C9H4ClFO2S and molecular weight 229.96 g/mol. IUPAC: 3-chloro-4-fluoro-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid
Property Insights of 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid
The XLogP value of 3.392 indicates that 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 2 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-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid?
The CAS number of 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid is 588676-90-8.
What is the molecular formula of 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid?
The molecular formula of 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid is C9H4ClFO2S.
What is the molecular weight of 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid?
The molecular weight of 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid is 229.96 g/mol.
Where can I buy 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid?
You can request a quote for 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-fluoro-1-benzothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.