3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 190262-92-1) is a chemical compound with molecular formula C13H20N4O2 and molecular weight 264.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dibutylpurine-2,6-dione
Also Known As: 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3,7-dibutylxanthine, 3,7-dibutylpurine-2,6-dione, 3,7-dibutyl-xanthine, 3,7-Dibutyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C13H20N4O2 |
|---|---|
| Molecular Weight | 264.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.15863 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 190262-92-1 |
|---|---|
| SMILES | CCCCN1C=NC2=C1C(=O)NC(=O)N2CCCC |
| InChIKey | KCQXVIHJFHPNBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 190262-92-1), with molecular formula C13H20N4O2 and molecular weight 264.16 g/mol. IUPAC: 3,7-dibutylpurine-2,6-dione.
Chemical Property Profile of 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,7-dibutyl-2,3,6,7-tetrahydro-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 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 190262-92-1.
What is the molecular formula of 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C13H20N4O2.
What is the molecular weight of 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 264.16 g/mol.
Where can I buy 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 3,7-dibutyl-2,3,6,7-tetrahydro-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 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-dibutyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.