2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one
TL;DR: 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one (CAS 110577-50-9) 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.
2-benzyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one
Also Known As: 2-benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one, 2-benzyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one, 1H-1,2,4-Triazole, 1-(3,3-dimethyl-1-oxo-2-(phenylmethyl)butyl)-, 1-Butanone,3,3-dimethyl-2-(phenylmethyl)-1-(1H-1,2,4-triazol-1-yl)-
| Molecular Formula | C15H19N3O |
|---|---|
| Molecular Weight | 257.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.1528 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 110577-50-9 |
|---|---|
| SMILES | CC(C)(C)C(CC1=CC=CC=C1)C(=O)N2C=NC=N2 |
| InChIKey | HYPBGZBEHCICEJ-UHFFFAOYSA-N |
Product Overview
2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one (CAS 110577-50-9), with molecular formula C15H19N3O and molecular weight 257.15 g/mol. IUPAC: 2-benzyl-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one.
Chemical Property Profile of 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one
Property Insights of 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one
The XLogP value of 3.5 indicates that 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one 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 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one?
The CAS number of 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one is 110577-50-9.
What is the molecular formula of 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one?
The molecular formula of 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one is C15H19N3O.
What is the molecular weight of 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one?
The molecular weight of 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one is 257.15 g/mol.
Where can I buy 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one?
You can request a quote for 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.