1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione (CAS 195522-91-9) is a chemical compound with molecular formula C11H18N4O3 and molecular weight 254.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-ethyl-4,5,7,9-tetrahydropurine-2,6,8-trione
Also Known As: 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione, 1-butyl-4,5-dihydro-3-ethyl-8-hydroxyxanthine, 1-butyl-3-ethyl-4,5,7,9-tetrahydropurine-2,6,8-trione, 1-butyl-3-ethyl-8-hydroxy-2,3,4,5,6,7-hexahydro-1H-purine-2,6-dione, 1-butyl-3-ethyl-8-hydroxy-2,3,4,5,6,9-hexahydro-1H-purine-2,6-dione
| Molecular Formula | C11H18N4O3 |
|---|---|
| Molecular Weight | 254.14 g/mol |
| LogP | 0.0781 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.1379 |
| Heavy Atoms | 18 |
| Complexity | 384.48462 |
Chemical Identifiers
| CAS Number | 195522-91-9 |
|---|---|
| SMILES | CCCCN1C(=O)C2C(NC(=O)N2)N(C1=O)CC |
Product Overview
1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione (CAS 195522-91-9), with molecular formula C11H18N4O3 and molecular weight 254.14 g/mol. IUPAC: 1-butyl-3-ethyl-4,5,7,9-tetrahydropurine-2,6,8-trione.
Chemical Property Profile of 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 0.0781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione 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-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione is 195522-91-9.
What is the molecular formula of 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione is C11H18N4O3.
What is the molecular weight of 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione is 254.14 g/mol.
Where can I buy 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-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 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-ethyl-8-hydroxy-3,4,5,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.