3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide (CAS 895326-59-7) is a chemical compound with molecular formula C16H10ClFN2OS2 and molecular weight 363.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide, (3-chloro-4-fluorobenzo[b]thiophen-2-yl)-N-(3-cyano-4,5-dimethyl(2-thienyl))ca rboxamide, 3-CHLORO-N-(3-CYANO-4,5-DIMETHYL-2-THIENYL)-4-FLUORO-1-BENZOTHIOPHENE-2-CARBOXAMIDE
| Molecular Formula | C16H10ClFN2OS2 |
|---|---|
| Molecular Weight | 363.99 g/mol |
| LogP | 5.49612 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.99072 |
| Heavy Atoms | 23 |
| Complexity | 984.2755 |
Chemical Identifiers
| CAS Number | 895326-59-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl)C |
Product Overview
3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide (CAS 895326-59-7), with molecular formula C16H10ClFN2OS2 and molecular weight 363.99 g/mol. IUPAC: 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide
The XLogP value of 5.49612 indicates that 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-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 52.89 Ų, 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide is 895326-59-7.
What is the molecular formula of 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide is C16H10ClFN2OS2.
What is the molecular weight of 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide is 363.99 g/mol.
Where can I buy 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-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-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.