3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one
TL;DR: 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one (CAS 40108-65-4) is a chemical compound with molecular formula C16H12ClN3O and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazin-6-one
Also Known As: J1.202.637D, 1,2,4-Triazin-6 -one,5-[ methyl]-3-phenyl-, 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one, BRD-K01321078-001-01-9, 5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazin-6-one
| Molecular Formula | C16H12ClN3O |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 3.0761 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.0669 |
| Heavy Atoms | 21 |
| Complexity | 797.756 |
Chemical Identifiers
| CAS Number | 40108-65-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=O)C(=N2)CC3=CC=C(C=C3)Cl |
Product Overview
3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one (CAS 40108-65-4), with molecular formula C16H12ClN3O and molecular weight 297.07 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazin-6-one.
Chemical Property Profile of 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one
Property Insights of 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one
The XLogP value of 3.0761 indicates that 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one has 1 hydrogen bond donor(s) and 3 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 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one?
The CAS number of 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one is 40108-65-4.
What is the molecular formula of 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one?
The molecular formula of 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one is C16H12ClN3O.
What is the molecular weight of 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one?
The molecular weight of 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one is 297.07 g/mol.
Where can I buy 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one?
You can request a quote for 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.