5-(Acetylamino)-1-benzothiophene-2-carboxylic acid
TL;DR: 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid (CAS 103566-21-8) is a chemical compound with molecular formula C11H9NO3S and molecular weight 235.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetamido-1-benzothiophene-2-carboxylic acid
Also Known As: 5-(acetylamino)-1-benzothiophene-2-carboxylic acid, 5-acetamido-1-benzothiophene-2-carboxylic acid, 5(6)-Acetamidobenzimidazol, 5-acetamidobenzothiophene-2-carboxylic Acid, 5-(acetylamino)-1-benzothiophene-2-carboxylicacid
| Molecular Formula | C11H9NO3S |
|---|---|
| Molecular Weight | 235.03 g/mol |
| LogP | 2.5579 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.03032 |
| Heavy Atoms | 16 |
| Complexity | 573.6134 |
Chemical Identifiers
| CAS Number | 103566-21-8 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)O |
Product Overview
5-(Acetylamino)-1-benzothiophene-2-carboxylic acid (CAS 103566-21-8), with molecular formula C11H9NO3S and molecular weight 235.03 g/mol. IUPAC: 5-acetamido-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid
Property Insights of 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid
The XLogP value of 2.5579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 5-(Acetylamino)-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 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid?
The CAS number of 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid is 103566-21-8.
What is the molecular formula of 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid?
The molecular formula of 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid is C11H9NO3S.
What is the molecular weight of 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid?
The molecular weight of 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid is 235.03 g/mol.
Where can I buy 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid?
You can request a quote for 5-(Acetylamino)-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 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.