1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)-
TL;DR: 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)- (CAS 93679-01-7) is a chemical compound with molecular formula C15H22N4OS and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-benzyl-6-tert-butyl-3-methylsulfanyl-6H-1,2,4-triazin-5-one
Also Known As: 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)-, 4-amino-1-benzyl-3-methylsulfanyl-6-tert-butyl-6H-1,2,4-triazin-5-one, 4-amino-1-benzyl-6-tert-butyl-3-methylsulfanyl-6H-1,2,4-triazin-5-one, 4-Amino-1-benzyl-6-tert-butyl-3-(methylsulfanyl)-1,6-dihydro-1,2,4-triazin-5(4H)-one
| Molecular Formula | C15H22N4OS |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.15143 |
| Heavy Atoms | 21 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 93679-01-7 |
|---|---|
| SMILES | CC(C)(C)C1C(=O)N(C(=NN1CC2=CC=CC=C2)SC)N |
| InChIKey | UAHRQHWSGBLOOZ-UHFFFAOYSA-N |
Product Overview
1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)- (CAS 93679-01-7), with molecular formula C15H22N4OS and molecular weight 306.15 g/mol. IUPAC: 4-amino-1-benzyl-6-tert-butyl-3-methylsulfanyl-6H-1,2,4-triazin-5-one.
Chemical Property Profile of 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)-
Property Insights of 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)-
The XLogP value of 3.3 indicates that 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)-. Following Lipinski's Rule of Five, 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)- 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 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)-?
The CAS number of 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)- is 93679-01-7.
What is the molecular formula of 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)-?
The molecular formula of 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)- is C15H22N4OS.
What is the molecular weight of 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)-?
The molecular weight of 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)- is 306.15 g/mol.
Where can I buy 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)-?
You can request a quote for 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazin-5(4H)-one, 4-amino-6-(1,1-dimethylethyl)-1,6-dihydro-3-(methylthio)-1-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.