4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone
TL;DR: 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone (CAS 63190-75-0) is a chemical compound with molecular formula C15H19N3O and molecular weight 257.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pentan-3-one
Also Known As: 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone, 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one, 4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pentan-3-one
| Molecular Formula | C15H19N3O |
|---|---|
| Molecular Weight | 257.15 g/mol |
| LogP | 2.6771 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.1528 |
| Heavy Atoms | 19 |
| Complexity | 526.27325 |
Chemical Identifiers
| CAS Number | 63190-75-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(CC1=CC=CC=C1)N2C=NC=N2 |
Product Overview
4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone (CAS 63190-75-0), with molecular formula C15H19N3O and molecular weight 257.15 g/mol. IUPAC: 4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pentan-3-one.
Chemical Property Profile of 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone
Property Insights of 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone
The XLogP value of 2.6771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone. With a topological polar surface area (TPSA) of 47.78 Ų, 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone 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 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone?
The CAS number of 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone is 63190-75-0.
What is the molecular formula of 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone?
The molecular formula of 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone is C15H19N3O.
What is the molecular weight of 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone?
The molecular weight of 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone is 257.15 g/mol.
Where can I buy 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone?
You can request a quote for 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.