4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one
TL;DR: 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one (CAS 494785-65-8) is a chemical compound with molecular formula C10H10ClN3O and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2,5-dimethyl-1,2,4-triazol-3-one
Also Known As: 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one, 6699AB, 4-(4-chlorophenyl)-2,5-dimethyl-1,2,4-triazol-3-one, 4-(4-chlorophenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-(3-CYANO(PYRIDIN-2-YL))BENZYL ALCOHOL
| Molecular Formula | C10H10ClN3O |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 1.53282 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.05124 |
| Heavy Atoms | 15 |
| Complexity | 538.7854 |
Chemical Identifiers
| CAS Number | 494785-65-8 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=C(C=C2)Cl)C |
Product Overview
4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one (CAS 494785-65-8), with molecular formula C10H10ClN3O and molecular weight 223.05 g/mol. IUPAC: 4-(4-chlorophenyl)-2,5-dimethyl-1,2,4-triazol-3-one.
Chemical Property Profile of 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one
Property Insights of 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one
The XLogP value of 1.53282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one. With a topological polar surface area (TPSA) of 39.82 Ų, 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one has 0 hydrogen bond donor(s) and 2 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-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one?
The CAS number of 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one is 494785-65-8.
What is the molecular formula of 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one?
The molecular formula of 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one is C10H10ClN3O.
What is the molecular weight of 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one?
The molecular weight of 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one is 223.05 g/mol.
Where can I buy 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one?
You can request a quote for 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-1,3-dimethyl-1H-1,2,4-triazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.