Theophylline, 8,8'-pentamethylenebis(2-thio-
TL;DR: Theophylline, 8,8'-pentamethylenebis(2-thio- (CAS 6466-31-5) is a chemical compound with molecular formula C19H24N8O2S2 and molecular weight 460.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[5-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)pentyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Also Known As: 8,8'- bis, 8,8'-Pentamethylenebis(2-thiotheophylline), Theophylline, 8,8'-pentamethylenebis(2-thio-, Theophylline,8,8'-trimethylenebis(2-thio, 8,8 -Pentamethylenebis(2-thiotheophylline)
| Molecular Formula | C19H24N8O2S2 |
|---|---|
| Molecular Weight | 460.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.14636 |
| Heavy Atoms | 31 |
| Complexity | 720.0 |
Chemical Identifiers
| CAS Number | 6466-31-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=S)C)NC(=N2)CCCCCC3=NC4=C(N3)C(=O)N(C(=S)N4C)C |
| InChIKey | BCADCRQRLZMCMC-UHFFFAOYSA-N |
Product Overview
Theophylline, 8,8'-pentamethylenebis(2-thio- (CAS 6466-31-5), with molecular formula C19H24N8O2S2 and molecular weight 460.15 g/mol. IUPAC: 8-[5-(1,3-dimethyl-6-oxo-2-sulfanylidene-7H-purin-8-yl)pentyl]-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one.
Chemical Property Profile of Theophylline, 8,8'-pentamethylenebis(2-thio-
Property Insights of Theophylline, 8,8'-pentamethylenebis(2-thio-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 8,8'-pentamethylenebis(2-thio-. The TPSA of 169.0 Ų indicates high polarity, suggesting Theophylline, 8,8'-pentamethylenebis(2-thio- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Theophylline, 8,8'-pentamethylenebis(2-thio- 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 Theophylline, 8,8'-pentamethylenebis(2-thio-?
The CAS number of Theophylline, 8,8'-pentamethylenebis(2-thio- is 6466-31-5.
What is the molecular formula of Theophylline, 8,8'-pentamethylenebis(2-thio-?
The molecular formula of Theophylline, 8,8'-pentamethylenebis(2-thio- is C19H24N8O2S2.
What is the molecular weight of Theophylline, 8,8'-pentamethylenebis(2-thio-?
The molecular weight of Theophylline, 8,8'-pentamethylenebis(2-thio- is 460.15 g/mol.
Where can I buy Theophylline, 8,8'-pentamethylenebis(2-thio-?
You can request a quote for Theophylline, 8,8'-pentamethylenebis(2-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 8,8'-pentamethylenebis(2-thio-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 8,8'-pentamethylenebis(2-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.