1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-
TL;DR: 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)- (CAS 12165-01-4) is a chemical compound with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one
Also Known As: 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-, 2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one, 2-(4-methoxybenzyl)-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-1-one, 1-Butanone,2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-, 1-Butanone,2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)
| Molecular Formula | C16H21N3O2 |
|---|---|
| Molecular Weight | 287.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.1634 |
| Heavy Atoms | 21 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 12165-01-4 |
|---|---|
| SMILES | CC(C)(C)C(CC1=CC=C(C=C1)OC)C(=O)N2C=NC=N2 |
| InChIKey | YSUZUUMCYNAWBL-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)- (CAS 12165-01-4), with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol. IUPAC: 2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-1-one.
Chemical Property Profile of 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-
Property Insights of 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-
The XLogP value of 3.5 indicates that 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)- has 0 hydrogen bond donor(s) and 4 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 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
The CAS number of 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)- is 12165-01-4.
What is the molecular formula of 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
The molecular formula of 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)- is C16H21N3O2.
What is the molecular weight of 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
The molecular weight of 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)- is 287.16 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
You can request a quote for 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 1-(2-((4-methoxyphenyl)methyl)-3,3-dimethyl-1-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.