3-Anilino-1-benzothiophene-2-carboxylic acid
TL;DR: 3-Anilino-1-benzothiophene-2-carboxylic acid (CAS 296265-72-0) is a chemical compound with molecular formula C15H11NO2S and molecular weight 269.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-1-benzothiophene-2-carboxylic acid
Also Known As: ChemDiv3_005482, 3-anilino-1-benzothiophene-2-carboxylic acid, IDI1_023392, 3-(phenylamino)-1-benzothiophene-2-carboxylic acid, 3-(phenylamino)benzo[b]thiophene-2-carboxylic acid
| Molecular Formula | C15H11NO2S |
|---|---|
| Molecular Weight | 269.05 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.05106 |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 296265-72-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(SC3=CC=CC=C32)C(=O)O |
| InChIKey | VDTCTUXROQMVQW-UHFFFAOYSA-N |
Product Overview
3-Anilino-1-benzothiophene-2-carboxylic acid (CAS 296265-72-0), with molecular formula C15H11NO2S and molecular weight 269.05 g/mol. IUPAC: 3-anilino-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 3-Anilino-1-benzothiophene-2-carboxylic acid
Property Insights of 3-Anilino-1-benzothiophene-2-carboxylic acid
The XLogP value of 4.9 indicates that 3-Anilino-1-benzothiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Anilino-1-benzothiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Anilino-1-benzothiophene-2-carboxylic acid has 2 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 3-Anilino-1-benzothiophene-2-carboxylic acid?
The CAS number of 3-Anilino-1-benzothiophene-2-carboxylic acid is 296265-72-0.
What is the molecular formula of 3-Anilino-1-benzothiophene-2-carboxylic acid?
The molecular formula of 3-Anilino-1-benzothiophene-2-carboxylic acid is C15H11NO2S.
What is the molecular weight of 3-Anilino-1-benzothiophene-2-carboxylic acid?
The molecular weight of 3-Anilino-1-benzothiophene-2-carboxylic acid is 269.05 g/mol.
Where can I buy 3-Anilino-1-benzothiophene-2-carboxylic acid?
You can request a quote for 3-Anilino-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-Anilino-1-benzothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-1-benzothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.