2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
TL;DR: 2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 315679-45-9) is a chemical compound with molecular formula C18H15NO4S and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzofuran-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: SDCCGSBI-0661168.P001, AF-399/14945013, 2-(1-benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, 2-(Benzofuran-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, 2-[(1-benzofuran-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
| Molecular Formula | C18H15NO4S |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.07217 |
| Heavy Atoms | 24 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 315679-45-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=CC=CC=C4O3)C(=O)O |
| InChIKey | NQRZFNKDQYAGGG-UHFFFAOYSA-N |
Product Overview
2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (CAS 315679-45-9), with molecular formula C18H15NO4S and molecular weight 341.07 g/mol. IUPAC: 2-(1-benzofuran-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of 2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Property Insights of 2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
The XLogP value of 4.8 indicates that 2-(1-Benzofuran-2-amido)-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 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid has 2 hydrogen bond donor(s) and 5 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-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The CAS number of 2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 315679-45-9.
What is the molecular formula of 2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular formula of 2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is C18H15NO4S.
What is the molecular weight of 2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
The molecular weight of 2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid is 341.07 g/mol.
Where can I buy 2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
You can request a quote for 2-(1-Benzofuran-2-amido)-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-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Benzofuran-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.