8-Heptylthiotheophylline
TL;DR: 8-Heptylthiotheophylline (CAS 73908-75-5) is a chemical compound with molecular formula C14H22N4O2S and molecular weight 310.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-(N-Heptylthio)theophylline, Theophylline, (8-heptylthio)-, 8-n-Heptylthiotheophylline, 8-Heptylthiotheophyline, Theophylline, 8-heptylthio-
| Molecular Formula | C14H22N4O2S |
|---|---|
| Molecular Weight | 310.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.14636 |
| Heavy Atoms | 21 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 73908-75-5 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | FFKZSFMDWWVVHP-UHFFFAOYSA-N |
Product Overview
8-Heptylthiotheophylline (CAS 73908-75-5), with molecular formula C14H22N4O2S and molecular weight 310.15 g/mol. IUPAC: 8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-Heptylthiotheophylline
Property Insights of 8-Heptylthiotheophylline
The XLogP value of 3.3 indicates that 8-Heptylthiotheophylline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Heptylthiotheophylline. Following Lipinski's Rule of Five, 8-Heptylthiotheophylline has 1 hydrogen bond donor(s) and 4 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-Heptylthiotheophylline?
The CAS number of 8-Heptylthiotheophylline is 73908-75-5.
What is the molecular formula of 8-Heptylthiotheophylline?
The molecular formula of 8-Heptylthiotheophylline is C14H22N4O2S.
What is the molecular weight of 8-Heptylthiotheophylline?
The molecular weight of 8-Heptylthiotheophylline is 310.15 g/mol.
Where can I buy 8-Heptylthiotheophylline?
You can request a quote for 8-Heptylthiotheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Heptylthiotheophylline?
Yes, KEHONG BIO provides custom synthesis services for 8-Heptylthiotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.