1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo-
TL;DR: 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo- (CAS 58744-76-6) is a chemical compound with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one
Also Known As: 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo-, 2-(4-Nitrophenyl)-3-sulfanylidenehexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-1-one, 2-(4-nitrophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one
| Molecular Formula | C12H12N4O3S |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 1.87199 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.06302 |
| Heavy Atoms | 20 |
| Complexity | 747.0143 |
Chemical Identifiers
| CAS Number | 58744-76-6 |
|---|---|
| SMILES | C1CCN2C(=S)N(C(=O)N2C1)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo- (CAS 58744-76-6), with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol. IUPAC: 2-(4-nitrophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one.
Chemical Property Profile of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo-
Property Insights of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo-
The XLogP value of 1.87199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo-. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo-. Following Lipinski's Rule of Five, 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo- 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)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo-?
The CAS number of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo- is 58744-76-6.
What is the molecular formula of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo-?
The molecular formula of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo- is C12H12N4O3S.
What is the molecular weight of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo-?
The molecular weight of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo- is 292.06 g/mol.
Where can I buy 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo-?
You can request a quote for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo- 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)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, hexahydro-2-(4-nitrophenyl)-3-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.