3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione
TL;DR: 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione (CAS 58481-23-5) is a chemical compound with molecular formula C17H20N4O2 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-1-methyl-3-(2-methylpropyl)purine-2,6-dione
Also Known As: Xanthine, 7-benzyl-3-isobutyl-1-methyl-, 7-benzyl-3-isobutyl-1-methylxanthine, 1-Methyl-3-isobutyl-7-benzylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-, 5-26-13-00568 (Beilstein Handbook Reference)
| Molecular Formula | C17H20N4O2 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | 1.601 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.15863 |
| Heavy Atoms | 23 |
| Complexity | 948.3692 |
Chemical Identifiers
| CAS Number | 58481-23-5 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3 |
Product Overview
3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione (CAS 58481-23-5), with molecular formula C17H20N4O2 and molecular weight 312.16 g/mol. IUPAC: 7-benzyl-1-methyl-3-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione
Property Insights of 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione
The XLogP value of 1.601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione has 0 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-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione?
The CAS number of 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione is 58481-23-5.
What is the molecular formula of 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione?
The molecular formula of 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione is C17H20N4O2.
What is the molecular weight of 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione?
The molecular weight of 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione is 312.16 g/mol.
Where can I buy 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione?
You can request a quote for 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-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-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.