1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea
TL;DR: 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea (CAS 446029-71-6) is a chemical compound with molecular formula C16H9F7N2O2S and molecular weight 426.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-difluoro-N-[[2-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]carbamoyl]benzamide
Also Known As: A2801/0118417, 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea, 2,6-difluoro-N-[[2-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]carbamoyl]benzamide, 2,6-difluoro-N-({2-[(pentafluoroethyl)sulfanyl]phenyl}carbamoyl)benzamide, 3-(2,6-DIFLUOROBENZOYL)-1-{2-[(1,1,2,2,2-PENTAFLUOROETHYL)SULFANYL]PHENYL}UREA
| Molecular Formula | C16H9F7N2O2S |
|---|---|
| Molecular Weight | 426.03 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.02728 |
| Heavy Atoms | 28 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 446029-71-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)NC(=O)C2=C(C=CC=C2F)F)SC(C(F)(F)F)(F)F |
| InChIKey | LGTQKCOWVXLPKJ-UHFFFAOYSA-N |
Product Overview
1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea (CAS 446029-71-6), with molecular formula C16H9F7N2O2S and molecular weight 426.03 g/mol. IUPAC: 2,6-difluoro-N-[[2-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]carbamoyl]benzamide.
Chemical Property Profile of 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea
Property Insights of 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea
The XLogP value of 5.5 indicates that 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea 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 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea. Following Lipinski's Rule of Five, 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea?
The CAS number of 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea is 446029-71-6.
What is the molecular formula of 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea?
The molecular formula of 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea is C16H9F7N2O2S.
What is the molecular weight of 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea?
The molecular weight of 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea is 426.03 g/mol.
Where can I buy 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea?
You can request a quote for 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Difluoro-benzoyl)-3-(2-pentafluoroethylsulfanyl-phenyl)-urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.