3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide (CAS 676579-50-3) is a chemical compound with molecular formula C12H6ClFN2OS2 and molecular weight 311.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
Also Known As: BAS 07344597, 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide, (3-chloro-4-fluorobenzo[b]thiophen-2-yl)-N-(1,3-thiazol-2-yl)carboxamide, 3-Chloro-4-fluoro-benzo[b]thiophene-2-carboxylic acid thiazol-2-ylamide
| Molecular Formula | C12H6ClFN2OS2 |
|---|---|
| Molecular Weight | 311.96 g/mol |
| LogP | 4.4026 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.9594 |
| Heavy Atoms | 19 |
| Complexity | 754.52356 |
Chemical Identifiers
| CAS Number | 676579-50-3 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)SC(=C2Cl)C(=O)NC3=NC=CS3)F |
Product Overview
3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide (CAS 676579-50-3), with molecular formula C12H6ClFN2OS2 and molecular weight 311.96 g/mol. IUPAC: 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
The XLogP value of 4.4026 indicates that 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide has 1 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 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide is 676579-50-3.
What is the molecular formula of 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide is C12H6ClFN2OS2.
What is the molecular weight of 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide is 311.96 g/mol.
Where can I buy 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-fluoro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.