1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo-
TL;DR: 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo- (CAS 58744-87-9) is a chemical compound with molecular formula C12H12BrN3OS and molecular weight 324.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromophenyl)-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, 2-(3-bromophenyl)hexahydro-3-thioxo-, 2-(3-Bromophenyl)-3-sulfanylidenehexahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-1-one, 2-(3-bromophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-1-one
| Molecular Formula | C12H12BrN3OS |
|---|---|
| Molecular Weight | 324.99 g/mol |
| LogP | 2.72629 |
| Topological Polar Surface Area | 31.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.98846 |
| Heavy Atoms | 18 |
| Complexity | 675.3431 |
Chemical Identifiers
| CAS Number | 58744-87-9 |
|---|---|
| SMILES | C1CCN2C(=S)N(C(=O)N2C1)C3=CC(=CC=C3)Br |
Product Overview
1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo- (CAS 58744-87-9), with molecular formula C12H12BrN3OS and molecular weight 324.99 g/mol. IUPAC: 2-(3-bromophenyl)-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, 2-(3-bromophenyl)hexahydro-3-thioxo-
Property Insights of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo-
The XLogP value of 2.72629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo-. With a topological polar surface area (TPSA) of 31.86 Ų, 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo- has 0 hydrogen bond donor(s) and 2 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, 2-(3-bromophenyl)hexahydro-3-thioxo-?
The CAS number of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo- is 58744-87-9.
What is the molecular formula of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo-?
The molecular formula of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo- is C12H12BrN3OS.
What is the molecular weight of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo-?
The molecular weight of 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo- is 324.99 g/mol.
Where can I buy 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo-?
You can request a quote for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-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, 2-(3-bromophenyl)hexahydro-3-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(3-bromophenyl)hexahydro-3-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.