(4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone
TL;DR: (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone (CAS 342044-00-2) is a chemical compound with molecular formula C15H10ClN3O and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-(3-phenyl-1H-1,2,4-triazol-5-yl)methanone
Also Known As: AE-562/12222309, (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone, (4-chlorophenyl)-(3-phenyl-1H-1,2,4-triazol-5-yl)methanone
| Molecular Formula | C15H10ClN3O |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 3.3561 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.05124 |
| Heavy Atoms | 20 |
| Complexity | 735.3249 |
Chemical Identifiers
| CAS Number | 342044-00-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=N2)C(=O)C3=CC=C(C=C3)Cl |
Product Overview
(4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone (CAS 342044-00-2), with molecular formula C15H10ClN3O and molecular weight 283.05 g/mol. IUPAC: (4-chlorophenyl)-(3-phenyl-1H-1,2,4-triazol-5-yl)methanone.
Chemical Property Profile of (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone
Property Insights of (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone
The XLogP value of 3.3561 indicates that (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone 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-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone 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 (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone?
The CAS number of (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone is 342044-00-2.
What is the molecular formula of (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone?
The molecular formula of (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone is C15H10ClN3O.
What is the molecular weight of (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone?
The molecular weight of (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone is 283.05 g/mol.
Where can I buy (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone?
You can request a quote for (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-chlorophenyl)(5-phenyl-4H-1,2,4-triazol-3-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.