![2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one structure](/static/products/860/860786-23-8.png)
2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one
TL;DR: 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one (CAS 860786-23-8) is a chemical compound with molecular formula C17H16ClN3O2 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one
Also Known As: 12T-0228, 2-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one, 2-(4-chlorobenzyl)-4-(3-methoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 1-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C17H16ClN3O2 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 3.05272 |
| Topological Polar Surface Area | 49.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.0931 |
| Heavy Atoms | 23 |
| Complexity | 881.5993 |
Chemical Identifiers
| CAS Number | 860786-23-8 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC(=CC=C2)OC)CC3=CC=C(C=C3)Cl |
Product Overview
2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one (CAS 860786-23-8), with molecular formula C17H16ClN3O2 and molecular weight 329.09 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one.
Chemical Property Profile of 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one
Property Insights of 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one
The XLogP value of 3.05272 indicates that 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.05 Ų, 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one has 0 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 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one?
The CAS number of 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one is 860786-23-8.
What is the molecular formula of 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one?
The molecular formula of 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one is C17H16ClN3O2.
What is the molecular weight of 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one?
The molecular weight of 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one is 329.09 g/mol.
Where can I buy 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one?
You can request a quote for 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)methyl]-4-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.