8K-554S
TL;DR: 8K-554S (CAS 321998-54-3) is a chemical compound with molecular formula C21H13Cl2F3N4OS and molecular weight 496.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
Also Known As: 8K-554S, N-(4-chlorobenzyl)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, N-[(4-chlorophenyl)methyl]-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide, 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
| Molecular Formula | C21H13Cl2F3N4OS |
|---|---|
| Molecular Weight | 496.01 g/mol |
| LogP | 6.2514 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.01392 |
| Heavy Atoms | 32 |
| Complexity | 1251.543 |
Chemical Identifiers
| CAS Number | 321998-54-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)C2=C(N(N=C2)C3=NC(=CS3)C4=CC=C(C=C4)Cl)C(F)(F)F)Cl |
Product Overview
8K-554S (CAS 321998-54-3), with molecular formula C21H13Cl2F3N4OS and molecular weight 496.01 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
Chemical Property Profile of 8K-554S
Property Insights of 8K-554S
The XLogP value of 6.2514 indicates that 8K-554S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 8K-554S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8K-554S has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8K-554S?
The CAS number of 8K-554S is 321998-54-3.
What is the molecular formula of 8K-554S?
The molecular formula of 8K-554S is C21H13Cl2F3N4OS.
What is the molecular weight of 8K-554S?
The molecular weight of 8K-554S is 496.01 g/mol.
Where can I buy 8K-554S?
You can request a quote for 8K-554S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8K-554S?
Yes, KEHONG BIO provides custom synthesis services for 8K-554S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.