3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione
TL;DR: 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione (CAS 118024-67-2) 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.
1-methyl-3-propyl-7H-purine-2,6-dione
Also Known As: 1-Methyl-3-propylxanthine, 1-methyl-3-propyl-7H-purine-2,6-dione, 1-methyl-3-n-propylxanthine, Xanthine, 1-methyl-3-propyl-, 1-methyl-3-propyl-7H-xanthine
| Molecular Formula | C9H12N4O2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 1.0 |
| 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 | 118024-67-2 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| InChIKey | MCPROACZLSAAPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione (CAS 118024-67-2), with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol. IUPAC: 1-methyl-3-propyl-7H-purine-2,6-dione.
Chemical Property Profile of 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione
Property Insights of 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione 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 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione?
The CAS number of 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione is 118024-67-2.
What is the molecular formula of 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione?
The molecular formula of 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione is C9H12N4O2.
What is the molecular weight of 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione?
The molecular weight of 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione is 208.10 g/mol.
Where can I buy 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione?
You can request a quote for 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,9-Dihydro-1-methyl-3-propyl-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.