Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-
TL;DR: Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio- (CAS 6493-46-5) is a chemical compound with molecular formula C14H21N5OS2 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
Also Known As: Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-, 6-Thio-8-(beta-N-piperidylethyl)thiotheophylline, Uric acid, 1,3-dimethyl-8-(2-(piperidinoethyl)thio)-6-thio-, Theophylline, 8-[(2-piperidinoethyl)thio]-6-thio-, 8-[(2-Piperidinoethyl)thio]-6-thiotheophylline
| Molecular Formula | C14H21N5OS2 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 1.90759 |
| Topological Polar Surface Area | 58.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.11874 |
| Heavy Atoms | 22 |
| Complexity | 784.8527 |
Chemical Identifiers
| CAS Number | 6493-46-5 |
|---|---|
| SMILES | CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3CCCCC3 |
Product Overview
Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio- (CAS 6493-46-5), with molecular formula C14H21N5OS2 and molecular weight 339.12 g/mol. IUPAC: 1,3-dimethyl-8-(2-piperidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one.
Chemical Property Profile of Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-
Property Insights of Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-
The XLogP value of 1.90759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-. With a topological polar surface area (TPSA) of 58.85 Ų, Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio- has 1 hydrogen bond donor(s) and 5 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-(2-(piperidinoethyl)thio)-6-thio-?
The CAS number of Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio- is 6493-46-5.
What is the molecular formula of Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-?
The molecular formula of Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio- is C14H21N5OS2.
What is the molecular weight of Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-?
The molecular weight of Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio- is 339.12 g/mol.
Where can I buy Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio-?
You can request a quote for Theophylline, 8-(2-(piperidinoethyl)thio)-6-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-(2-(piperidinoethyl)thio)-6-thio-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 8-(2-(piperidinoethyl)thio)-6-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.