8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 442864-93-9) is a chemical compound with molecular formula C22H22ClN5O3 and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(2-hydroxyethyl)amino]-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00383211-04, AB00383211-10, F1191-0109, 8-[benzyl(2-hydroxyethyl)amino]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H22ClN5O3 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.1411 |
| Heavy Atoms | 31 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 442864-93-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CC3=CC=CC=C3)CC4=CC=CC=C4Cl |
| InChIKey | DGIBAOPEFYCOGN-UHFFFAOYSA-N |
Product Overview
8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 442864-93-9), with molecular formula C22H22ClN5O3 and molecular weight 439.14 g/mol. IUPAC: 8-[benzyl(2-hydroxyethyl)amino]-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 5 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 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 442864-93-9.
What is the molecular formula of 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C22H22ClN5O3.
What is the molecular weight of 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 439.14 g/mol.
Where can I buy 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.