N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide
TL;DR: N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide (CAS 100342-14-1) is a chemical compound with molecular formula C16H9ClF6N2O3S and molecular weight 457.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2-chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
Also Known As: N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide, Benzamide, N-((4-(2-chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluoro-, N-[[4-(2-chloro-1,1,2-trifluoro-ethyl)sulfinyl-2-fluoro-phenyl]carbamoyl]-2,6-difluoro-benzamide, N-[[4-(2-chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide, N-[{[4-(2-Chloro-1,1,2-trifluoroethanesulfinyl)-2-fluorophenyl]imino}(hydroxy)methyl]-2,6-difluorobenzene-1-carboximidic acid
| Molecular Formula | C16H9ClF6N2O3S |
|---|---|
| Molecular Weight | 457.99 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.99265 |
| Heavy Atoms | 29 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 100342-14-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=C(C=C(C=C2)S(=O)C(C(F)Cl)(F)F)F)F |
| InChIKey | XNWHILOULBJPKV-UHFFFAOYSA-N |
Product Overview
N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide (CAS 100342-14-1), with molecular formula C16H9ClF6N2O3S and molecular weight 457.99 g/mol. IUPAC: N-[[4-(2-chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide.
Chemical Property Profile of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide
Property Insights of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide
The XLogP value of 4.1 indicates that N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide. Following Lipinski's Rule of Five, N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide has 2 hydrogen bond donor(s) and 10 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 N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide?
The CAS number of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide is 100342-14-1.
What is the molecular formula of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide?
The molecular formula of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide is C16H9ClF6N2O3S.
What is the molecular weight of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide?
The molecular weight of N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide is 457.99 g/mol.
Where can I buy N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide?
You can request a quote for N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(2-Chloro-1,1,2-trifluoroethyl)sulfinyl-2-fluorophenyl)carbamoyl)-2,6-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.