(4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone
TL;DR: (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone (CAS 153334-22-6) is a chemical compound with molecular formula C10H8ClN3O and molecular weight 221.03558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanone
Also Known As: (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone, (4-chlorophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanone, EC-000.2025, AM-814/41091903, methanone, (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)-
Technical Specifications
| Molecular Formula | C10H8ClN3O |
| Molecular Weight | 221.03558 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.03558 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| SMILES | CN1C(=NC=N1)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | PDHKVSPCABAUFZ-UHFFFAOYSA-N |
Chemical Property Profile of (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone
Property Insights of (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone. With a topological polar surface area (TPSA) of 47.8 Ų, (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)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
What is the CAS number of (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone?
The CAS number of (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone is 153334-22-6.
What is the molecular formula of (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone?
The molecular formula of (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone is C10H8ClN3O.
What is the molecular weight of (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone?
The molecular weight of (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone is 221.03558 g/mol.
Where can I buy (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone?
You can request a quote for (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone?
Yes, CoreyChem provides custom synthesis services for (4-chlorophenyl)(1-methyl-1H-1,2,4-triazol-5-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.