![4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one structure](/static/products/897/897830-82-9.png)
4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one
TL;DR: 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one (CAS 897830-82-9) is a chemical compound with molecular formula C14H17N5O3S and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one
Also Known As: VU0507905-1, F3043-0022, 4-amino-6-tert-butyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one, 4-amino-6-(tert-butyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazin-5-one, 4-amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one
| Molecular Formula | C14H17N5O3S |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 1.8501 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.10522 |
| Heavy Atoms | 23 |
| Complexity | 780.4802 |
Chemical Identifiers
| CAS Number | 897830-82-9 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(N(C1=O)N)SCC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one (CAS 897830-82-9), with molecular formula C14H17N5O3S and molecular weight 335.11 g/mol. IUPAC: 4-amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one.
Chemical Property Profile of 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one
Property Insights of 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one
The XLogP value of 1.8501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one has 1 hydrogen bond donor(s) and 7 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-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The CAS number of 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one is 897830-82-9.
What is the molecular formula of 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The molecular formula of 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one is C14H17N5O3S.
What is the molecular weight of 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The molecular weight of 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one is 335.11 g/mol.
Where can I buy 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
You can request a quote for 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-6-tert-butyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.