2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide
TL;DR: 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide (CAS 100331-08-6) is a chemical compound with molecular formula C16H10F6N2O2S and molecular weight 408.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-difluoro-N-[[4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]benzamide
Also Known As: 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide, 2,6-difluoro-N-[[4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]benzamide, Benzamide, 2,6-difluoro-N-(((4-((1,1,2,2- tetrafluoroethyl)thio)phenyl)amino)carbonyl)-, 1-(2,6-Difluorobenzoyl)-3-[4-[(1,1,2,2-tetrafluoroethyl)thio]phenyl]urea, 1-(2,6-difluorobenzoyl)-3-{4-[(1,1,2,2-tetrafluoroethyl)sulfanyl]phenyl}urea
| Molecular Formula | C16H10F6N2O2S |
|---|---|
| Molecular Weight | 408.04 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.0367 |
| Heavy Atoms | 27 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 100331-08-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)SC(C(F)F)(F)F)F |
| InChIKey | KHDFIAQCSUVUBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide (CAS 100331-08-6), with molecular formula C16H10F6N2O2S and molecular weight 408.04 g/mol. IUPAC: 2,6-difluoro-N-[[4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]benzamide.
Chemical Property Profile of 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide
Property Insights of 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide
The XLogP value of 5.2 indicates that 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide 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 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide. Following Lipinski's Rule of Five, 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide?
The CAS number of 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide is 100331-08-6.
What is the molecular formula of 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide?
The molecular formula of 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide is C16H10F6N2O2S.
What is the molecular weight of 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide?
The molecular weight of 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide is 408.04 g/mol.
Where can I buy 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide?
You can request a quote for 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Difluoro-N-((4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl)carbamoyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.