1-Propylxanthine
TL;DR: 1-Propylxanthine (CAS 104285-82-7) is a chemical compound with molecular formula C8H10N4O2 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propyl-3,7-dihydropurine-2,6-dione
Also Known As: 1-Propylxanthine, propylxanthine, 1-propyl-3,7-dihydropurine-2,6-dione, 1-Propyl-3,7-dihydro-purine-2,6-dione, 1-propyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C8H10N4O2 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.08037 |
| Heavy Atoms | 14 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 104285-82-7 |
|---|---|
| SMILES | CCCN1C(=O)C2=C(NC1=O)N=CN2 |
| InChIKey | IWBONKMODGBEOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propylxanthine (CAS 104285-82-7), with molecular formula C8H10N4O2 and molecular weight 194.08 g/mol. IUPAC: 1-propyl-3,7-dihydropurine-2,6-dione.
Chemical Property Profile of 1-Propylxanthine
Property Insights of 1-Propylxanthine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propylxanthine. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propylxanthine. Following Lipinski's Rule of Five, 1-Propylxanthine has 2 hydrogen bond donor(s) and 3 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-Propylxanthine?
The CAS number of 1-Propylxanthine is 104285-82-7.
What is the molecular formula of 1-Propylxanthine?
The molecular formula of 1-Propylxanthine is C8H10N4O2.
What is the molecular weight of 1-Propylxanthine?
The molecular weight of 1-Propylxanthine is 194.08 g/mol.
Where can I buy 1-Propylxanthine?
You can request a quote for 1-Propylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-Propylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.