2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide
TL;DR: 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide (CAS 100331-01-9) is a chemical compound with molecular formula C17H12F6N2O3S and molecular weight 438.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-difluoro-N-[[2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl]carbamoyl]benzamide
Also Known As: 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide, 2,6-difluoro-N-[[2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl]carbamoyl]benzamide, 1-(2,6-difluorobenzoyl)-3-[2-methyl-4-(1,1,2,2-tetrafluoroethanesulfinyl)phenyl]urea, 1-(2,6-Difluorobenzoyl)-3-[2-methyl-4-[(1,1,2,2-tetrafluoroethyl)sulfinyl]phenyl]urea, 2,6-Difluoro-N-{[2-methyl-4-(1,1,2,2-tetrafluoroethanesulfinyl)phenyl]carbamoyl}benzene-1-carboximidic acid
| Molecular Formula | C17H12F6N2O3S |
|---|---|
| Molecular Weight | 438.05 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 | 438.04727 |
| Heavy Atoms | 29 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 100331-01-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)C(C(F)F)(F)F)NC(=O)NC(=O)C2=C(C=CC=C2F)F |
| InChIKey | DJELKNDKZXNWFD-UHFFFAOYSA-N |
Product Overview
2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide (CAS 100331-01-9), with molecular formula C17H12F6N2O3S and molecular weight 438.05 g/mol. IUPAC: 2,6-difluoro-N-[[2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl]carbamoyl]benzamide.
Chemical Property Profile of 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide
Property Insights of 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide
The XLogP value of 4.1 indicates that 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide 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 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide. Following Lipinski's Rule of Five, 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide 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 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide?
The CAS number of 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide is 100331-01-9.
What is the molecular formula of 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide?
The molecular formula of 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide is C17H12F6N2O3S.
What is the molecular weight of 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide?
The molecular weight of 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide is 438.05 g/mol.
Where can I buy 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide?
You can request a quote for 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)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-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Difluoro-N-((2-methyl-4-(1,1,2,2-tetrafluoroethylsulfinyl)phenyl)carbamoyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.