1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl-
TL;DR: 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl- (CAS 87540-71-4) is a chemical compound with molecular formula C15H10N4S and molecular weight 278.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazine-3-thione
Also Known As: 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl-, 1,2,4-Triazolo(3,4-a)phthalazine-3(2H)-thione, 6-phenyl-, SDCCGSBI-0660659.P001, 3-Mercapto-6-phenyl-1,2,4-triazolo(3,4-a)phthalazine, 6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazine-3-thione
| Molecular Formula | C15H10N4S |
|---|---|
| Molecular Weight | 278.06 g/mol |
| LogP | 3.60709 |
| Topological Polar Surface Area | 45.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.06262 |
| Heavy Atoms | 20 |
| Complexity | 969.42694 |
Chemical Identifiers
| CAS Number | 87540-71-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN3C(=NNC3=S)C4=CC=CC=C42 |
Product Overview
1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl- (CAS 87540-71-4), with molecular formula C15H10N4S and molecular weight 278.06 g/mol. IUPAC: 6-phenyl-2H-[1,2,4]triazolo[3,4-a]phthalazine-3-thione.
Chemical Property Profile of 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl-
Property Insights of 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl-
The XLogP value of 3.60709 indicates that 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.98 Ų, 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-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-mercapto-6-phenyl- has 1 hydrogen bond donor(s) and 3 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-mercapto-6-phenyl-?
The CAS number of 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl- is 87540-71-4.
What is the molecular formula of 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl-?
The molecular formula of 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl- is C15H10N4S.
What is the molecular weight of 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl-?
The molecular weight of 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl- is 278.06 g/mol.
Where can I buy 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl-?
You can request a quote for 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-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-mercapto-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(3,4-a)phthalazine, 3-mercapto-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.