1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one
TL;DR: 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one (CAS 727997-40-2) is a chemical compound with molecular formula C19H19ClN6O2 and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one
Also Known As: 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one, A3816/0162013, 1-(4-Chloro-phenyl)-5-(4-methoxy-benzyl)-3-[1,2,4]triazol-4-yl-[1,3,5]triazinan-2-one, 1-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one, 3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-1-(1,2,4-triazol-4-yl)-1,3,5-tr iazaperhydroin-2-one
| Molecular Formula | C19H19ClN6O2 |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 2.9355 |
| Topological Polar Surface Area | 66.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1258 |
| Heavy Atoms | 28 |
| Complexity | 930.0724 |
Chemical Identifiers
| CAS Number | 727997-40-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2CN(C(=O)N(C2)N3C=NN=C3)C4=CC=C(C=C4)Cl |
Product Overview
1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one (CAS 727997-40-2), with molecular formula C19H19ClN6O2 and molecular weight 398.13 g/mol. IUPAC: 1-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one.
Chemical Property Profile of 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one
Property Insights of 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one
The XLogP value of 2.9355 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one. The TPSA of 66.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one has 0 hydrogen bond donor(s) and 5 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 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one?
The CAS number of 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one is 727997-40-2.
What is the molecular formula of 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one?
The molecular formula of 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one is C19H19ClN6O2.
What is the molecular weight of 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one?
The molecular weight of 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one is 398.13 g/mol.
Where can I buy 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one?
You can request a quote for 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-5-(4-methoxybenzyl)-3-(4H-1,2,4-triazol-4-yl)-1,3,5-triazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.