8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl
TL;DR: 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl (CAS 6466-33-7) is a chemical compound with molecular formula C16H18N8O2S2 and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Also Known As: 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl, 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one, 8,8'-(Ethane-1,2-diyl)bis(1,3-dimethyl-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one)
| Molecular Formula | C16H18N8O2S2 |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 0.75778 |
| Topological Polar Surface Area | 111.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.09943 |
| Heavy Atoms | 28 |
| Complexity | 1380.1086 |
Chemical Identifiers
| CAS Number | 6466-33-7 |
|---|---|
| SMILES | CN1C2=C(C(=S)N(C1=O)C)NC(=N2)CCC3=NC4=C(N3)C(=S)N(C(=O)N4C)C |
Product Overview
8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl (CAS 6466-33-7), with molecular formula C16H18N8O2S2 and molecular weight 418.10 g/mol. IUPAC: 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl]-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one.
Chemical Property Profile of 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl
Property Insights of 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl
The XLogP value of 0.75778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl. The TPSA of 111.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl. Following Lipinski's Rule of Five, 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl has 2 hydrogen bond donor(s) and 6 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 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl?
The CAS number of 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl is 6466-33-7.
What is the molecular formula of 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl?
The molecular formula of 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl is C16H18N8O2S2.
What is the molecular weight of 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl?
The molecular weight of 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl is 418.10 g/mol.
Where can I buy 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl?
You can request a quote for 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl?
Yes, KEHONG BIO provides custom synthesis services for 8-[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)ethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.