8-(p-Sulfophenyl)theophylline
TL;DR: 8-(p-Sulfophenyl)theophylline (CAS 80206-91-3) is a chemical compound with molecular formula C13H12N4O5S and molecular weight 336.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid
Also Known As: 8-(p-Sulfophenyl)theophylline, Psp-theophylline, 8-Pspt, 8-(4-Sulfophenyl)theophylline, 8-Sulfophenyltheophylline
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12N4O5S |
| Molecular Weight | 336.05283 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.05283 Da |
| Heavy Atoms | 23 |
| Complexity | 610.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O |
| InChIKey | LXJSJIXZOAMHTG-UHFFFAOYSA-N |
Product Description
Applications: 8-(p-Sulfophenyl)theophylline is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 8-(p-Sulfophenyl)theophylline (CAS 80206-91-3) has the molecular formula C13H12N4O5S and a molecular weight of 336.05 g/mol. Synonyms include 8-(p-Sulfophenyl)theophylline and Psp-theophylline.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 8-(p-Sulfophenyl)theophylline
Property Insights of 8-(p-Sulfophenyl)theophylline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(p-Sulfophenyl)theophylline. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(p-Sulfophenyl)theophylline. Following Lipinski's Rule of Five, 8-(p-Sulfophenyl)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
What is the CAS number of 8-(p-Sulfophenyl)theophylline?
The CAS number of 8-(p-Sulfophenyl)theophylline is 80206-91-3.
What is the molecular formula of 8-(p-Sulfophenyl)theophylline?
The molecular formula of 8-(p-Sulfophenyl)theophylline is C13H12N4O5S.
What is the molecular weight of 8-(p-Sulfophenyl)theophylline?
The molecular weight of 8-(p-Sulfophenyl)theophylline is 336.05283 g/mol.
What are the applications of 8-(p-Sulfophenyl)theophylline?
8-(p-Sulfophenyl)theophylline is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy 8-(p-Sulfophenyl)theophylline?
You can request a quote for 8-(p-Sulfophenyl)theophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-(p-Sulfophenyl)theophylline?
Yes, CoreyChem provides custom synthesis services for 8-(p-Sulfophenyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.