7-Benzyl-3-butylxanthine
TL;DR: 7-Benzyl-3-butylxanthine (CAS 200487-22-5) is a chemical compound with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-3-butylpurine-2,6-dione
Also Known As: 7-Benzyl-3-butylxanthine, 7-benzyl-3-butylpurine-2,6-dione, 7-benzyl-3-butyl-purine-2,6-dione, 7-benzyl-3-butyl-3,7-dihydro-1H-purine-2,6-dione, 7-Benzyl-3-butyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H18N4O2 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 1.7347 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.14297 |
| Heavy Atoms | 22 |
| Complexity | 889.8901 |
Chemical Identifiers
| CAS Number | 200487-22-5 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3 |
Product Overview
7-Benzyl-3-butylxanthine (CAS 200487-22-5), with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol. IUPAC: 7-benzyl-3-butylpurine-2,6-dione.
Chemical Property Profile of 7-Benzyl-3-butylxanthine
Property Insights of 7-Benzyl-3-butylxanthine
The XLogP value of 1.7347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-3-butylxanthine. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-3-butylxanthine. Following Lipinski's Rule of Five, 7-Benzyl-3-butylxanthine 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 7-Benzyl-3-butylxanthine?
The CAS number of 7-Benzyl-3-butylxanthine is 200487-22-5.
What is the molecular formula of 7-Benzyl-3-butylxanthine?
The molecular formula of 7-Benzyl-3-butylxanthine is C16H18N4O2.
What is the molecular weight of 7-Benzyl-3-butylxanthine?
The molecular weight of 7-Benzyl-3-butylxanthine is 298.14 g/mol.
Where can I buy 7-Benzyl-3-butylxanthine?
You can request a quote for 7-Benzyl-3-butylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Benzyl-3-butylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-3-butylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.