4N-636S
TL;DR: 4N-636S (CAS 477712-38-2) is a chemical compound with molecular formula C23H13Cl3F3N3O and molecular weight 509.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
Also Known As: 4N-636S, 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
| Molecular Formula | C23H13Cl3F3N3O |
|---|---|
| Molecular Weight | 509.01 g/mol |
| LogP | 7.7706 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.00763 |
| Heavy Atoms | 33 |
| Complexity | 1317.7788 |
Chemical Identifiers
| CAS Number | 477712-38-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=NN2C3=C(C=CC(=C3)Cl)Cl)C(=O)NC4=CC=C(C=C4)C(F)(F)F)Cl |
Product Overview
4N-636S (CAS 477712-38-2), with molecular formula C23H13Cl3F3N3O and molecular weight 509.01 g/mol. IUPAC: 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
Chemical Property Profile of 4N-636S
Property Insights of 4N-636S
The XLogP value of 7.7706 indicates that 4N-636S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 4N-636S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4N-636S 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 4N-636S?
The CAS number of 4N-636S is 477712-38-2.
What is the molecular formula of 4N-636S?
The molecular formula of 4N-636S is C23H13Cl3F3N3O.
What is the molecular weight of 4N-636S?
The molecular weight of 4N-636S is 509.01 g/mol.
Where can I buy 4N-636S?
You can request a quote for 4N-636S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4N-636S?
Yes, KEHONG BIO provides custom synthesis services for 4N-636S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.