![1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one structure](/static/products/5380/5380-82-5.webp)
1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
TL;DR: 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one (CAS 5380-82-5) is a chemical compound with molecular formula C15H20N4OS and molecular weight 304.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one, 1-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
| Molecular Formula | C15H20N4OS |
|---|---|
| Molecular Weight | 304.14 g/mol |
| LogP | 2.67462 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.13577 |
| Heavy Atoms | 21 |
| Complexity | 640.6835 |
Chemical Identifiers
| CAS Number | 5380-82-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)C(C)(C)C |
Product Overview
1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one (CAS 5380-82-5), with molecular formula C15H20N4OS and molecular weight 304.14 g/mol. IUPAC: 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Property Insights of 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
The XLogP value of 2.67462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one. Following Lipinski's Rule of Five, 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one has 1 hydrogen bond donor(s) and 5 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 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one?
The CAS number of 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one is 5380-82-5.
What is the molecular formula of 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one?
The molecular formula of 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one is C15H20N4OS.
What is the molecular weight of 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one?
The molecular weight of 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one is 304.14 g/mol.
Where can I buy 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one?
You can request a quote for 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.