![N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide structure](/static/products/1002/100279-89-8.webp)
N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
TL;DR: N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide (CAS 100279-89-8) is a chemical compound with molecular formula C16H9BrF6N2O2S and molecular weight 485.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
Also Known As: N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide, N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylthio)phenyl)carbamoyl)-2,6-difluorobenzamide, 1-(2,6-Difluorobenzoyl)-3-[2-bromo-4-[(1,1,2,2-tetrafluoroethyl)thio]phenyl]urea, 3-{2-bromo-4-[(1,1,2,2-tetrafluoroethyl)sulfanyl]phenyl}-1-(2,6-difluorobenzoyl)urea, N-({2-bromo-4-[(1,1,2,2-tetrafluoroethyl)sulfanyl]phenyl}carbamoyl)-2,6-difluorobenzamide
| Molecular Formula | C16H9BrF6N2O2S |
|---|---|
| Molecular Weight | 485.95 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.94724 |
| Heavy Atoms | 28 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 100279-89-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=C(C=C(C=C2)SC(C(F)F)(F)F)Br)F |
| InChIKey | UOYKBKXVGIDOBH-UHFFFAOYSA-N |
Product Overview
N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide (CAS 100279-89-8), with molecular formula C16H9BrF6N2O2S and molecular weight 485.95 g/mol. IUPAC: N-[[2-bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide.
Chemical Property Profile of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
Property Insights of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide
The XLogP value of 5.9 indicates that N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]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-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide. Following Lipinski's Rule of Five, N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide 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 N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The CAS number of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide is 100279-89-8.
What is the molecular formula of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The molecular formula of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide is C16H9BrF6N2O2S.
What is the molecular weight of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The molecular weight of N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide is 485.95 g/mol.
Where can I buy N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
You can request a quote for N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]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-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((2-Bromo-4-(1,1,2,2-tetrafluoroethylsulfanyl)phenyl]carbamoyl]-2,6-difluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.