(4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone
TL;DR: (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone (CAS 445392-89-2) is a chemical compound with molecular formula C12H12ClN3O and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-(1-propyl-1,2,4-triazol-3-yl)methanone
Also Known As: AM-814/41091900, (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone, (4-chlorophenyl)-(1-propyl-1,2,4-triazol-3-yl)methanone
| Molecular Formula | C12H12ClN3O |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 2.5725 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.0669 |
| Heavy Atoms | 17 |
| Complexity | 518.80194 |
Chemical Identifiers
| CAS Number | 445392-89-2 |
|---|---|
| SMILES | CCCN1C=NC(=N1)C(=O)C2=CC=C(C=C2)Cl |
Product Overview
(4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone (CAS 445392-89-2), with molecular formula C12H12ClN3O and molecular weight 249.07 g/mol. IUPAC: (4-chlorophenyl)-(1-propyl-1,2,4-triazol-3-yl)methanone.
Chemical Property Profile of (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone
Property Insights of (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone
The XLogP value of 2.5725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone. With a topological polar surface area (TPSA) of 47.78 Ų, (4-chlorophenyl)(1-propyl-1H-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)(1-propyl-1H-1,2,4-triazol-3-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
Frequently Asked Questions
What is the CAS number of (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone?
The CAS number of (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone is 445392-89-2.
What is the molecular formula of (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone?
The molecular formula of (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone is C12H12ClN3O.
What is the molecular weight of (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone?
The molecular weight of (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone is 249.07 g/mol.
Where can I buy (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone?
You can request a quote for (4-chlorophenyl)(1-propyl-1H-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)(1-propyl-1H-1,2,4-triazol-3-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-chlorophenyl)(1-propyl-1H-1,2,4-triazol-3-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.