Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-
TL;DR: Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl- (CAS 58481-29-1) is a chemical compound with molecular formula C17H19ClN4O2 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione
Also Known As: Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-, 5-26-13-00568 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)-, 1-Methyl-3-isobutyl-7-(4-chlorobenzyl)xanthine, 3,7-Dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione
| Molecular Formula | C17H19ClN4O2 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 2.2544 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.11966 |
| Heavy Atoms | 24 |
| Complexity | 996.33295 |
Chemical Identifiers
| CAS Number | 58481-29-1 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)Cl |
Product Overview
Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl- (CAS 58481-29-1), with molecular formula C17H19ClN4O2 and molecular weight 346.12 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-
Property Insights of Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-
The XLogP value of 2.2544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-. Following Lipinski's Rule of Five, Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl- 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 Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-?
The CAS number of Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl- is 58481-29-1.
What is the molecular formula of Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-?
The molecular formula of Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl- is C17H19ClN4O2.
What is the molecular weight of Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-?
The molecular weight of Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl- is 346.12 g/mol.
Where can I buy Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-?
You can request a quote for Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.