3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-
TL;DR: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl- (CAS 114058-88-7) is a chemical compound with molecular formula C11H12ClN3O and molecular weight 237.0669 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazol-3-one
Also Known As: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-, 2,4-Dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-3H-1,2,4-triazol-3-one, 5-(4-chlorophenyl)-2-ethyl-4-methyl-1,2,4-triazol-3-one, 2-Ethyl-4-methyl-5-(4-chlorophenyl)-2H-1,2,4-triazol-3(4H)-one, 3-(4-chlorophenyl)-1-ethyl-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
Technical Specifications
| Molecular Formula | C11H12ClN3O |
| Molecular Weight | 237.0669 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.0669 Da |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
| SMILES | CCN1C(=O)N(C(=N1)C2=CC=C(C=C2)Cl)C |
| InChIKey | ADCONTZNUSIGEG-UHFFFAOYSA-N |
Chemical Property Profile of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-
Property Insights of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-. With a topological polar surface area (TPSA) of 35.9 Ų, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl- 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
What is the CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-?
The CAS number of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl- is 114058-88-7.
What is the molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-?
The molecular formula of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl- is C11H12ClN3O.
What is the molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-?
The molecular weight of 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl- is 237.0669 g/mol.
Where can I buy 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-?
You can request a quote for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl-?
Yes, CoreyChem provides custom synthesis services for 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-chlorophenyl)-2-ethyl-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.