8,8'-Methylenebis(2-thio-theophylline
TL;DR: 8,8'-Methylenebis(2-thio-theophylline (CAS 1915-58-8) is a chemical compound with molecular formula C15H16N8O2S2 and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)methyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Also Known As: Theophylline, 8,8'-methylenebis(2-thio-, 8,8'-Methylene-bis-(2-thiotheophylline), 8,8'-Methylenebis(2-thio-theophylline, Theophylline,8'-methylenebis[2-thio-, 8,8'-Methylenebis[2-thiotheophylline]
| Molecular Formula | C15H16N8O2S2 |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.08377 |
| Heavy Atoms | 27 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 1915-58-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=S)C)NC(=N2)CC3=NC4=C(N3)C(=O)N(C(=S)N4C)C |
| InChIKey | QIRUGLODEIPRED-UHFFFAOYSA-N |
Product Overview
8,8'-Methylenebis(2-thio-theophylline (CAS 1915-58-8), with molecular formula C15H16N8O2S2 and molecular weight 404.08 g/mol. IUPAC: 8-[(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)methyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one.
Chemical Property Profile of 8,8'-Methylenebis(2-thio-theophylline
Property Insights of 8,8'-Methylenebis(2-thio-theophylline
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8,8'-Methylenebis(2-thio-theophylline. The TPSA of 169.0 Ų indicates high polarity, suggesting 8,8'-Methylenebis(2-thio-theophylline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8,8'-Methylenebis(2-thio-theophylline 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 8,8'-Methylenebis(2-thio-theophylline?
The CAS number of 8,8'-Methylenebis(2-thio-theophylline is 1915-58-8.
What is the molecular formula of 8,8'-Methylenebis(2-thio-theophylline?
The molecular formula of 8,8'-Methylenebis(2-thio-theophylline is C15H16N8O2S2.
What is the molecular weight of 8,8'-Methylenebis(2-thio-theophylline?
The molecular weight of 8,8'-Methylenebis(2-thio-theophylline is 404.08 g/mol.
Where can I buy 8,8'-Methylenebis(2-thio-theophylline?
You can request a quote for 8,8'-Methylenebis(2-thio-theophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,8'-Methylenebis(2-thio-theophylline?
Yes, KEHONG BIO provides custom synthesis services for 8,8'-Methylenebis(2-thio-theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.