(5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone
TL;DR: (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone (CAS 54196-61-1) is a chemical compound with molecular formula C16H11Cl2N3O and molecular weight 331.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone
Also Known As: 2',5-Dichloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)benzophenone, [5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl](2-chlorophenyl)methanone, [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone, 2'',5-DICHLOOR-2-(3-METHYL-4H-1,2,4-TRIAZOOL-4-YL)BENZOFENON, 2',5-dichloro-2-(3-methyl-4H-1,2,4-triazol-4 -yl)benzophenone
| Molecular Formula | C16H11Cl2N3O |
|---|---|
| Molecular Weight | 331.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.02792 |
| Heavy Atoms | 22 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 54196-61-1 |
|---|---|
| SMILES | CC1=NN=CN1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl |
| InChIKey | MPEDDLDWEDSQOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone (CAS 54196-61-1), with molecular formula C16H11Cl2N3O and molecular weight 331.03 g/mol. IUPAC: [5-chloro-2-(3-methyl-1,2,4-triazol-4-yl)phenyl]-(2-chlorophenyl)methanone.
Chemical Property Profile of (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone
Property Insights of (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone
The XLogP value of 4.1 indicates that (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone 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 (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone?
The CAS number of (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone is 54196-61-1.
What is the molecular formula of (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone?
The molecular formula of (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone is C16H11Cl2N3O.
What is the molecular weight of (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone?
The molecular weight of (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone is 331.03 g/mol.
Where can I buy (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone?
You can request a quote for (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloro-2-(3-methyl-4H-1,2,4-triazol-4-yl)phenyl)(2-chlorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.