1-propyl-8-p-sulfophenylxanthine
TL;DR: 1-propyl-8-p-sulfophenylxanthine (CAS 409344-71-4) is a chemical compound with molecular formula C14H14N4O5S and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid
Also Known As: 1-propyl-8-p-sulfophenylxanthine, 409344-71-4 anhydrous, 152529-79-8 (acid), 1-Propyl-8-(p-sulfophenyl)xanthine, 1-propyl-8-(4-sulfophenyl)xanthine
| Molecular Formula | C14H14N4O5S |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 0.7366 |
| Topological Polar Surface Area | 137.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.06848 |
| Heavy Atoms | 24 |
| Complexity | 1122.6666 |
Chemical Identifiers
| CAS Number | 409344-71-4 |
|---|---|
| SMILES | CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O |
Product Overview
1-propyl-8-p-sulfophenylxanthine (CAS 409344-71-4), with molecular formula C14H14N4O5S and molecular weight 350.07 g/mol. IUPAC: 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid.
Chemical Property Profile of 1-propyl-8-p-sulfophenylxanthine
Property Insights of 1-propyl-8-p-sulfophenylxanthine
The XLogP value of 0.7366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-propyl-8-p-sulfophenylxanthine. The TPSA of 137.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-propyl-8-p-sulfophenylxanthine. Following Lipinski's Rule of Five, 1-propyl-8-p-sulfophenylxanthine has 3 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 1-propyl-8-p-sulfophenylxanthine?
The CAS number of 1-propyl-8-p-sulfophenylxanthine is 409344-71-4.
What is the molecular formula of 1-propyl-8-p-sulfophenylxanthine?
The molecular formula of 1-propyl-8-p-sulfophenylxanthine is C14H14N4O5S.
What is the molecular weight of 1-propyl-8-p-sulfophenylxanthine?
The molecular weight of 1-propyl-8-p-sulfophenylxanthine is 350.07 g/mol.
Where can I buy 1-propyl-8-p-sulfophenylxanthine?
You can request a quote for 1-propyl-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 1-propyl-8-p-sulfophenylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-propyl-8-p-sulfophenylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.