2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
TL;DR: 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 446830-48-4) is a chemical compound with molecular formula C17H17NO3S and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: 2-benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-benzamido-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic Acid, 6-methyl-2-(phenylcarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxy lic acid
| Molecular Formula | C17H17NO3S |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 3.8234 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.09293 |
| Heavy Atoms | 22 |
| Complexity | 721.0053 |
Chemical Identifiers
| CAS Number | 446830-48-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CC=C3 |
Product Overview
2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 446830-48-4), with molecular formula C17H17NO3S and molecular weight 315.09 g/mol. IUPAC: 2-benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Property Insights of 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
The XLogP value of 3.8234 indicates that 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-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 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The CAS number of 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 446830-48-4.
What is the molecular formula of 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular formula of 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is C17H17NO3S.
What is the molecular weight of 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular weight of 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 315.09 g/mol.
Where can I buy 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
You can request a quote for 2-Benzamido-6-methyl-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-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.