4-Fluoro-1-benzothiophene-2-carboxylic acid
TL;DR: 4-Fluoro-1-benzothiophene-2-carboxylic acid (CAS 23967-57-9) is a chemical compound with molecular formula C9H5FO2S and molecular weight 196.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-1-benzothiophene-2-carboxylic acid
Also Known As: 4-fluorobenzo[b]thiophene-2-carboxylic acid, 4-fluoro-1-benzothiophene-2-carboxylic acid, 4-fluorobenzothiophene-2-carboxylic Acid, Brexpiprazole Impurity 181, 2,5-dibromoterephthalonitrile
| Molecular Formula | C9H5FO2S |
|---|---|
| Molecular Weight | 196.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.99944 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 23967-57-9 |
|---|---|
| SMILES | C1=CC(=C2C=C(SC2=C1)C(=O)O)F |
| InChIKey | ZKADPMNICCXSRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluoro-1-benzothiophene-2-carboxylic acid (CAS 23967-57-9), with molecular formula C9H5FO2S and molecular weight 196.00 g/mol. IUPAC: 4-fluoro-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 4-Fluoro-1-benzothiophene-2-carboxylic acid
Property Insights of 4-Fluoro-1-benzothiophene-2-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-1-benzothiophene-2-carboxylic acid. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluoro-1-benzothiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 4-Fluoro-1-benzothiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 4-Fluoro-1-benzothiophene-2-carboxylic acid?
The CAS number of 4-Fluoro-1-benzothiophene-2-carboxylic acid is 23967-57-9.
What is the molecular formula of 4-Fluoro-1-benzothiophene-2-carboxylic acid?
The molecular formula of 4-Fluoro-1-benzothiophene-2-carboxylic acid is C9H5FO2S.
What is the molecular weight of 4-Fluoro-1-benzothiophene-2-carboxylic acid?
The molecular weight of 4-Fluoro-1-benzothiophene-2-carboxylic acid is 196.00 g/mol.
Where can I buy 4-Fluoro-1-benzothiophene-2-carboxylic acid?
You can request a quote for 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 4-Fluoro-1-benzothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-1-benzothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.