8K-555S
TL;DR: 8K-555S (CAS 321998-55-4) is a chemical compound with molecular formula C22H13ClF6N4OS and molecular weight 530.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
Also Known As: 8K-555S, 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-N-[3-(trifluoromethyl)benzyl]-1H-pyrazole-4-carboxamide, 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide, 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-4-carboxamide
| Molecular Formula | C22H13ClF6N4OS |
|---|---|
| Molecular Weight | 530.04 g/mol |
| LogP | 6.6168 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 530.0403 |
| Heavy Atoms | 35 |
| Complexity | 1361.5209 |
Chemical Identifiers
| CAS Number | 321998-55-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=C(N(N=C2)C3=NC(=CS3)C4=CC=C(C=C4)Cl)C(F)(F)F |
Product Overview
8K-555S (CAS 321998-55-4), with molecular formula C22H13ClF6N4OS and molecular weight 530.04 g/mol. IUPAC: 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
Chemical Property Profile of 8K-555S
Property Insights of 8K-555S
The XLogP value of 6.6168 indicates that 8K-555S 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-555S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8K-555S 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-555S?
The CAS number of 8K-555S is 321998-55-4.
What is the molecular formula of 8K-555S?
The molecular formula of 8K-555S is C22H13ClF6N4OS.
What is the molecular weight of 8K-555S?
The molecular weight of 8K-555S is 530.04 g/mol.
Where can I buy 8K-555S?
You can request a quote for 8K-555S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8K-555S?
Yes, KEHONG BIO provides custom synthesis services for 8K-555S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.