1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl-
TL;DR: 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl- (CAS 87540-84-9) is a chemical compound with molecular formula C16H12N4S and molecular weight 292.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
Also Known As: 3-(Methylthio)-6-phenyl-1,2,4-triazolo(3,4-a)phthalazine, 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl-, 3-methylsulfanyl-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine, 3-(Methylsulfanyl)-6-phenyl[1,2,4]triazolo[3,4-a]phthalazine, 3-(Methylthio)-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
| Molecular Formula | C16H12N4S |
|---|---|
| Molecular Weight | 292.08 g/mol |
| LogP | 3.6664 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.07828 |
| Heavy Atoms | 21 |
| Complexity | 930.98456 |
Chemical Identifiers
| CAS Number | 87540-84-9 |
|---|---|
| SMILES | CSC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC=CC=C4 |
Product Overview
1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl- (CAS 87540-84-9), with molecular formula C16H12N4S and molecular weight 292.08 g/mol. IUPAC: 3-methylsulfanyl-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine.
Chemical Property Profile of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl-
Property Insights of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl-
The XLogP value of 3.6664 indicates that 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl- 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 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl-?
The CAS number of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl- is 87540-84-9.
What is the molecular formula of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl-?
The molecular formula of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl- is C16H12N4S.
What is the molecular weight of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl-?
The molecular weight of 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl- is 292.08 g/mol.
Where can I buy 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl-?
You can request a quote for 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl- 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-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(3,4-a)phthalazine, 3-(methylthio)-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.