3-Amino-1-benzothiophene-2-carboxylic acid
TL;DR: 3-Amino-1-benzothiophene-2-carboxylic acid (CAS 40142-71-0) is a chemical compound with molecular formula C9H7NO2S and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-benzothiophene-2-carboxylic acid
Also Known As: 3-amino-1-benzothiophene-2-carboxylic acid, 3-Aminobenzo[b]thiophene-2-carboxylic acid, 3-Amino-benzenethiophene-2-carboxylic acid, 3-aminobenzothiophene-2-carboxylic Acid, BUTTPARK 52\11-75
| Molecular Formula | C9H7NO2S |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 2.1817 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.01974 |
| Heavy Atoms | 13 |
| Complexity | 475.41946 |
Chemical Identifiers
| CAS Number | 40142-71-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)O)N |
Product Overview
3-Amino-1-benzothiophene-2-carboxylic acid (CAS 40142-71-0), with molecular formula C9H7NO2S and molecular weight 193.02 g/mol. IUPAC: 3-amino-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 3-Amino-1-benzothiophene-2-carboxylic acid
Property Insights of 3-Amino-1-benzothiophene-2-carboxylic acid
The XLogP value of 2.1817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-benzothiophene-2-carboxylic acid. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-benzothiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Amino-1-benzothiophene-2-carboxylic acid has 2 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 3-Amino-1-benzothiophene-2-carboxylic acid?
The CAS number of 3-Amino-1-benzothiophene-2-carboxylic acid is 40142-71-0.
What is the molecular formula of 3-Amino-1-benzothiophene-2-carboxylic acid?
The molecular formula of 3-Amino-1-benzothiophene-2-carboxylic acid is C9H7NO2S.
What is the molecular weight of 3-Amino-1-benzothiophene-2-carboxylic acid?
The molecular weight of 3-Amino-1-benzothiophene-2-carboxylic acid is 193.02 g/mol.
Where can I buy 3-Amino-1-benzothiophene-2-carboxylic acid?
You can request a quote for 3-Amino-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-Amino-1-benzothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-benzothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.