1-Methyl-3-propylxanthine
TL;DR: 1-Methyl-3-propylxanthine (CAS 72117-78-3) is a chemical compound with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-propyl-7H-purine-2,6-dione
Also Known As: 3-methyl-1-propylxanthine, Athyltheophyllin, Ethyltheophylline, 1-Methyl-3-propylxanthine, 1-Propyl-3-methylxanthine
| Molecular Formula | C9H12N4O2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.09602 |
| Heavy Atoms | 15 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 72117-78-3 |
|---|---|
| SMILES | CCCN1C(=O)C2=C(N=CN2)N(C1=O)C |
| InChIKey | UEGOAAXVUJWIHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-3-propylxanthine (CAS 72117-78-3), with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol. IUPAC: 3-methyl-1-propyl-7H-purine-2,6-dione.
Chemical Property Profile of 1-Methyl-3-propylxanthine
Property Insights of 1-Methyl-3-propylxanthine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-propylxanthine. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-propylxanthine. Following Lipinski's Rule of Five, 1-Methyl-3-propylxanthine has 1 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-Methyl-3-propylxanthine?
The CAS number of 1-Methyl-3-propylxanthine is 72117-78-3.
What is the molecular formula of 1-Methyl-3-propylxanthine?
The molecular formula of 1-Methyl-3-propylxanthine is C9H12N4O2.
What is the molecular weight of 1-Methyl-3-propylxanthine?
The molecular weight of 1-Methyl-3-propylxanthine is 208.10 g/mol.
Where can I buy 1-Methyl-3-propylxanthine?
You can request a quote for 1-Methyl-3-propylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-propylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-propylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.