1,3-Dibutylxanthine
TL;DR: 1,3-Dibutylxanthine (CAS 2850-36-4) 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.
1,3-dibutyl-7H-purine-2,6-dione
Also Known As: 1,3-Dibutylxanthine, 1,3-Di-n-Butylxanthine, 1,3-Dibutyl-1H-purine-2,6(3H,7H)-dione, 1,3-dibutyl-7H-purine-2,6-dione, 1,3-di-n-butyl-xanthine
| Molecular Formula | C13H20N4O2 |
|---|---|
| Molecular Weight | 264.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.3 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 | 2850-36-4 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC=N2 |
| InChIKey | HDAPVDGMACVEKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dibutylxanthine (CAS 2850-36-4), with molecular formula C13H20N4O2 and molecular weight 264.16 g/mol. IUPAC: 1,3-dibutyl-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-Dibutylxanthine
Property Insights of 1,3-Dibutylxanthine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dibutylxanthine. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dibutylxanthine. Following Lipinski's Rule of Five, 1,3-Dibutylxanthine 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 1,3-Dibutylxanthine?
The CAS number of 1,3-Dibutylxanthine is 2850-36-4.
What is the molecular formula of 1,3-Dibutylxanthine?
The molecular formula of 1,3-Dibutylxanthine is C13H20N4O2.
What is the molecular weight of 1,3-Dibutylxanthine?
The molecular weight of 1,3-Dibutylxanthine is 264.16 g/mol.
Where can I buy 1,3-Dibutylxanthine?
You can request a quote for 1,3-Dibutylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dibutylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dibutylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.