ChemDiv1_004081
TL;DR: ChemDiv1_004081 (CAS 292066-71-8) is a chemical compound with molecular formula C14H9BrClF6N3O and molecular weight 462.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Also Known As: ChemDiv1_004081, BAS 00414856, BIM-0000487.P001, 2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide, 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C14H9BrClF6N3O |
|---|---|
| Molecular Weight | 462.95 g/mol |
| LogP | 5.28372 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.95218 |
| Heavy Atoms | 26 |
| Complexity | 846.42834 |
Chemical Identifiers
| CAS Number | 292066-71-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(F)(F)F)Br |
Product Overview
ChemDiv1_004081 (CAS 292066-71-8), with molecular formula C14H9BrClF6N3O and molecular weight 462.95 g/mol. IUPAC: 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of ChemDiv1_004081
Property Insights of ChemDiv1_004081
The XLogP value of 5.28372 indicates that ChemDiv1_004081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, ChemDiv1_004081 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_004081 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_004081?
The CAS number of ChemDiv1_004081 is 292066-71-8.
What is the molecular formula of ChemDiv1_004081?
The molecular formula of ChemDiv1_004081 is C14H9BrClF6N3O.
What is the molecular weight of ChemDiv1_004081?
The molecular weight of ChemDiv1_004081 is 462.95 g/mol.
Where can I buy ChemDiv1_004081?
You can request a quote for ChemDiv1_004081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004081?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.