N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide
TL;DR: N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide (CAS 100280-08-8) is a chemical compound with molecular formula C18H14ClF5N2O2S and molecular weight 452.04 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)sulfanyl-2,3-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
Also Known As: N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide, Benzamide,N-[[[4-[(2-chloro-1,1,2-trifluoroethyl)thio]-2,3-dimethylphenyl]amino]carbonyl]-2,6-difluoro-, N-[[4-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-2,3-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide, 2-chloro-N-((2-chloro-4-((2-chloro-1,1,2-trifluoroethyl)thio)phenyl)carbamoyl)benzamide, 4-(5-((2,3-dihydroxy-24,33-tetraoxidaneyl)oxy)-3,4-dihydroxy-13,24,34,44,54,63-hexaoxin-2-yl)-1-(3-hydroxy-13,24,34,43,53,63-hexaoxin-2-yl)-14,34-tetraoxidane-1,3-dione
| Molecular Formula | C18H14ClF5N2O2S |
|---|---|
| Molecular Weight | 452.04 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.03845 |
| Heavy Atoms | 29 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 100280-08-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1C)SC(C(F)Cl)(F)F)NC(=O)NC(=O)C2=C(C=CC=C2F)F |
| InChIKey | COTDVYWZNRMARX-UHFFFAOYSA-N |
Product Overview
N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide (CAS 100280-08-8), with molecular formula C18H14ClF5N2O2S and molecular weight 452.04 g/mol. IUPAC: N-[[4-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-2,3-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide.
Chemical Property Profile of N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide
Property Insights of N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide
The XLogP value of 6.2 indicates that N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide. Following Lipinski's Rule of Five, N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide?
The CAS number of N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide is 100280-08-8.
What is the molecular formula of N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide?
The molecular formula of N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide is C18H14ClF5N2O2S.
What is the molecular weight of N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide?
The molecular weight of N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide is 452.04 g/mol.
Where can I buy N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide?
You can request a quote for N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)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)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(2-Chloro-1,1,2-trifluoroethyl)thio-2,3-dimethylphenyl)carbamoyl)-2,6-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.