2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
TL;DR: 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 13130-43-3) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: 2-(Acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, BAS 00381402, 2-Acetamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, 2-Acetylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 13130-43-3 |
|---|---|
| SMILES | CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O |
| InChIKey | YQJPHNLITLRBAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 13130-43-3), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Property Insights of 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-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 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The CAS number of 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 13130-43-3.
What is the molecular formula of 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular formula of 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is C11H13NO3S.
What is the molecular weight of 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular weight of 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 239.06 g/mol.
Where can I buy 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
You can request a quote for 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.