1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene
TL;DR: 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene (CAS 63886-80-6) is a chemical compound with molecular formula C11H8N4O2S and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-sulfanylidene-3a,7a-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
Also Known As: 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene, 4-26-00-02633 (Beilstein Handbook Reference), 1-Phenyl-2,3,5,6-tetrahydro-2-thioxo-1H-imidazo(4,5-d)pyridazine-4,7-dione, 1H-Imidazo(4,5-d)pyridazine-4,7-dione, 2,3,5,6-tetrahydro-1-phenyl-2-thioxo-, 3-phenyl-2-thioxo-3a,7a-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
| Molecular Formula | C11H8N4O2S |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 0.6373 |
| Topological Polar Surface Area | 74.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0368 |
| Heavy Atoms | 18 |
| Complexity | 571.6658 |
Chemical Identifiers
| CAS Number | 63886-80-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3C(C(=O)N=NC3=O)NC2=S |
Product Overview
1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene (CAS 63886-80-6), with molecular formula C11H8N4O2S and molecular weight 260.04 g/mol. IUPAC: 3-phenyl-2-sulfanylidene-3a,7a-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione.
Chemical Property Profile of 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene
Property Insights of 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene
The XLogP value of 0.6373 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene. The TPSA of 74.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene. Following Lipinski's Rule of Five, 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene 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-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene?
The CAS number of 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene is 63886-80-6.
What is the molecular formula of 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene?
The molecular formula of 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene is C11H8N4O2S.
What is the molecular weight of 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene?
The molecular weight of 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene is 260.04 g/mol.
Where can I buy 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene?
You can request a quote for 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-mercapto-4,7-dihydroxy-1,3,5,6-tetraazaindene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.