5N-581S
TL;DR: 5N-581S (CAS 477713-24-9) is a chemical compound with molecular formula C24H17ClF3N3O and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-1-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
Also Known As: 5N-581S, 5-(4-chlorophenyl)-1-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
| Molecular Formula | C24H17ClF3N3O |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 6.77222 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.10123 |
| Heavy Atoms | 32 |
| Complexity | 1200.1466 |
Chemical Identifiers
| CAS Number | 477713-24-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)Cl |
Product Overview
5N-581S (CAS 477713-24-9), with molecular formula C24H17ClF3N3O and molecular weight 455.10 g/mol. IUPAC: 5-(4-chlorophenyl)-1-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
Chemical Property Profile of 5N-581S
Property Insights of 5N-581S
The XLogP value of 6.77222 indicates that 5N-581S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 5N-581S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5N-581S 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 5N-581S?
The CAS number of 5N-581S is 477713-24-9.
What is the molecular formula of 5N-581S?
The molecular formula of 5N-581S is C24H17ClF3N3O.
What is the molecular weight of 5N-581S?
The molecular weight of 5N-581S is 455.10 g/mol.
Where can I buy 5N-581S?
You can request a quote for 5N-581S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-581S?
Yes, KEHONG BIO provides custom synthesis services for 5N-581S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.