9-phenyl-6-sulfanylidene-3H-purin-2-one
TL;DR: 9-phenyl-6-sulfanylidene-3H-purin-2-one (CAS 5444-44-0) is a chemical compound with molecular formula C11H8N4OS and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-phenyl-6-sulfanylidene-3H-purin-2-one
Also Known As: 9-phenyl-6-sulfanylidene-3H-purin-2-one, 9-phenyl-6-thioxo-6,9-dihydro-1H-purin-2(3H)-one, 9-Phenyl-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one, 2H-PURIN-2-ONE,1,3,6,9-TETRAHYDRO-9-PHENYL-6-THIOXO-
| Molecular Formula | C11H8N4OS |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 1.77139 |
| Topological Polar Surface Area | 66.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.04189 |
| Heavy Atoms | 17 |
| Complexity | 784.3318 |
Chemical Identifiers
| CAS Number | 5444-44-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=NC3=C2NC(=O)NC3=S |
Product Overview
9-phenyl-6-sulfanylidene-3H-purin-2-one (CAS 5444-44-0), with molecular formula C11H8N4OS and molecular weight 244.04 g/mol. IUPAC: 9-phenyl-6-sulfanylidene-3H-purin-2-one.
Chemical Property Profile of 9-phenyl-6-sulfanylidene-3H-purin-2-one
Property Insights of 9-phenyl-6-sulfanylidene-3H-purin-2-one
The XLogP value of 1.77139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-phenyl-6-sulfanylidene-3H-purin-2-one. The TPSA of 66.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-phenyl-6-sulfanylidene-3H-purin-2-one. Following Lipinski's Rule of Five, 9-phenyl-6-sulfanylidene-3H-purin-2-one has 2 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 9-phenyl-6-sulfanylidene-3H-purin-2-one?
The CAS number of 9-phenyl-6-sulfanylidene-3H-purin-2-one is 5444-44-0.
What is the molecular formula of 9-phenyl-6-sulfanylidene-3H-purin-2-one?
The molecular formula of 9-phenyl-6-sulfanylidene-3H-purin-2-one is C11H8N4OS.
What is the molecular weight of 9-phenyl-6-sulfanylidene-3H-purin-2-one?
The molecular weight of 9-phenyl-6-sulfanylidene-3H-purin-2-one is 244.04 g/mol.
Where can I buy 9-phenyl-6-sulfanylidene-3H-purin-2-one?
You can request a quote for 9-phenyl-6-sulfanylidene-3H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-phenyl-6-sulfanylidene-3H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 9-phenyl-6-sulfanylidene-3H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.