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 235.03032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C11H9NO3S |
| Molecular Weight | 235.03032 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.03032 Da |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
| SMILES | CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)O |
| InChIKey | KLLGPANAMFPFCO-UHFFFAOYSA-N |
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 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid. The TPSA of 94.6 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 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 235.03032 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Acetylamino)-1-benzothiophene-2-carboxylic acid?
Yes, CoreyChem 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.