2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo-
TL;DR: 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo- (CAS 119294-05-2) is a chemical compound with molecular formula C14H12N6O3S and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-amino-3-methyl-1-[(4-nitrophenyl)methyl]-6-sulfanylidenepyrimido[1,6-b][1,2,4]triazin-2-one
Also Known As: 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo-, 2-Methyl-3-oxo-4-p-nitrobenzyl-6-amino-8-thioxopyrimido(3,4-b)-1,2,4-triazine, 8-Amino-3-methyl-1-[(4-nitrophenyl)methyl]-6-sulfanylidene-1,6-dihydro-2H-pyrimido[1,6-b][1,2,4]triazin-2-one, 8-amino-3-methyl-1-[(4-nitrophenyl)methyl]-6-sulfanylidenepyrimido[1,6-b][1,2,4]triazin-2-one, BRN 6000919
| Molecular Formula | C14H12N6O3S |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 1.46761 |
| Topological Polar Surface Area | 121.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.06915 |
| Heavy Atoms | 24 |
| Complexity | 1070.7904 |
Chemical Identifiers
| CAS Number | 119294-05-2 |
|---|---|
| SMILES | CC1=NN2C(=CC(=NC2=S)N)N(C1=O)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo- (CAS 119294-05-2), with molecular formula C14H12N6O3S and molecular weight 344.07 g/mol. IUPAC: 8-amino-3-methyl-1-[(4-nitrophenyl)methyl]-6-sulfanylidenepyrimido[1,6-b][1,2,4]triazin-2-one.
Chemical Property Profile of 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo-
Property Insights of 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo-
The XLogP value of 1.46761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo-. The TPSA of 121.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo-. Following Lipinski's Rule of Five, 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo- 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 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo-?
The CAS number of 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo- is 119294-05-2.
What is the molecular formula of 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo-?
The molecular formula of 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo- is C14H12N6O3S.
What is the molecular weight of 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo-?
The molecular weight of 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo- is 344.07 g/mol.
Where can I buy 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo-?
You can request a quote for 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyrimido(1,6-b)(1,2,4)triazin-2-one, 1,6-dihydro-8-amino-3-methyl-1-((4-nitrophenyl)methyl)-6-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.