3,7-Dimethyl-8-p-sulfophenylxanthine
TL;DR: 3,7-Dimethyl-8-p-sulfophenylxanthine (CAS 149981-36-2) is a chemical compound with molecular formula C13H12N4O5S and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,7-dimethyl-2,6-dioxopurin-8-yl)benzenesulfonic acid
Also Known As: 3,7-Dimethyl-8-p-sulfophenylxanthine, 3,7-Dimethyl-8-(p-sulfophenyl)xanthine, 4-(3,7-dimethyl-2,6-dioxopurin-8-yl)benzenesulfonic acid, 4-(3,7-dimethyl-2,6-dioxo-purin-8-yl)benzenesulfonic Acid, 4-(2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid
| Molecular Formula | C13H12N4O5S |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | -0.126 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.05283 |
| Heavy Atoms | 23 |
| Complexity | 1136.0521 |
Chemical Identifiers
| CAS Number | 149981-36-2 |
|---|---|
| SMILES | CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)O)N(C(=O)NC2=O)C |
Product Overview
3,7-Dimethyl-8-p-sulfophenylxanthine (CAS 149981-36-2), with molecular formula C13H12N4O5S and molecular weight 336.05 g/mol. IUPAC: 4-(3,7-dimethyl-2,6-dioxopurin-8-yl)benzenesulfonic acid.
Chemical Property Profile of 3,7-Dimethyl-8-p-sulfophenylxanthine
Property Insights of 3,7-Dimethyl-8-p-sulfophenylxanthine
The XLogP value of -0.126 indicates that 3,7-Dimethyl-8-p-sulfophenylxanthine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dimethyl-8-p-sulfophenylxanthine. Following Lipinski's Rule of Five, 3,7-Dimethyl-8-p-sulfophenylxanthine has 2 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 3,7-Dimethyl-8-p-sulfophenylxanthine?
The CAS number of 3,7-Dimethyl-8-p-sulfophenylxanthine is 149981-36-2.
What is the molecular formula of 3,7-Dimethyl-8-p-sulfophenylxanthine?
The molecular formula of 3,7-Dimethyl-8-p-sulfophenylxanthine is C13H12N4O5S.
What is the molecular weight of 3,7-Dimethyl-8-p-sulfophenylxanthine?
The molecular weight of 3,7-Dimethyl-8-p-sulfophenylxanthine is 336.05 g/mol.
Where can I buy 3,7-Dimethyl-8-p-sulfophenylxanthine?
You can request a quote for 3,7-Dimethyl-8-p-sulfophenylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethyl-8-p-sulfophenylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-8-p-sulfophenylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.