3-Benzyl-7-methylxanthine
TL;DR: 3-Benzyl-7-methylxanthine (CAS 64995-73-9) is a chemical compound with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-methylpurine-2,6-dione
Also Known As: 3-Benzyl-7-methylxanthine, 3-benzyl-7-methylpurine-2,6-dione, 3-benzyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione, 3-benzyl-7-methyl-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-7-methyl-3-(phenylmethyl)-
| Molecular Formula | C13H12N4O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 0.4716 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.09604 |
| Heavy Atoms | 19 |
| Complexity | 842.446 |
Chemical Identifiers
| CAS Number | 64995-73-9 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3 |
Product Overview
3-Benzyl-7-methylxanthine (CAS 64995-73-9), with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol. IUPAC: 3-benzyl-7-methylpurine-2,6-dione.
Chemical Property Profile of 3-Benzyl-7-methylxanthine
Property Insights of 3-Benzyl-7-methylxanthine
The XLogP value of 0.4716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-7-methylxanthine. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyl-7-methylxanthine. Following Lipinski's Rule of Five, 3-Benzyl-7-methylxanthine 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-Benzyl-7-methylxanthine?
The CAS number of 3-Benzyl-7-methylxanthine is 64995-73-9.
What is the molecular formula of 3-Benzyl-7-methylxanthine?
The molecular formula of 3-Benzyl-7-methylxanthine is C13H12N4O2.
What is the molecular weight of 3-Benzyl-7-methylxanthine?
The molecular weight of 3-Benzyl-7-methylxanthine is 256.10 g/mol.
Where can I buy 3-Benzyl-7-methylxanthine?
You can request a quote for 3-Benzyl-7-methylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-7-methylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-7-methylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.