![4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol structure](/static/products/6521/652154-77-3.webp)
4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol
TL;DR: 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol (CAS 652154-77-3) is a chemical compound with molecular formula C16H12ClN3OS and molecular weight 329.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methylsulfanyl]-6-phenyl-1H-1,3,5-triazin-2-one
Also Known As: 4-[(4-chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol, 4-[(4-chlorophenyl)methylsulfanyl]-6-phenyl-1H-1,3,5-triazin-2-one, BRD-K70217569-001-07-8, 4-((4-Chlorobenzyl)thio)-6-phenyl-1,3,5-triazin-2(1H)-one, 1,3,5-Triazin-2(1H)-one, 4-[[(4-chlorophenyl)methyl]thio]-6-phenyl-
| Molecular Formula | C16H12ClN3OS |
|---|---|
| Molecular Weight | 329.04 g/mol |
| LogP | 3.7776 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.03897 |
| Heavy Atoms | 22 |
| Complexity | 818.7995 |
Chemical Identifiers
| CAS Number | 652154-77-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NC(=O)N2)SCC3=CC=C(C=C3)Cl |
Product Overview
4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol (CAS 652154-77-3), with molecular formula C16H12ClN3OS and molecular weight 329.04 g/mol. IUPAC: 4-[(4-chlorophenyl)methylsulfanyl]-6-phenyl-1H-1,3,5-triazin-2-one.
Chemical Property Profile of 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol
Property Insights of 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol
The XLogP value of 3.7776 indicates that 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol?
The CAS number of 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol is 652154-77-3.
What is the molecular formula of 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol?
The molecular formula of 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol is C16H12ClN3OS.
What is the molecular weight of 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol?
The molecular weight of 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol is 329.04 g/mol.
Where can I buy 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol?
You can request a quote for 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Chlorobenzyl)thio]-6-phenyl-1,3,5-triazin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.