1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 847846-95-1) is a chemical compound with molecular formula C20H25ClN6O3 and molecular weight 432.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-chlorophenyl)methyl]-3,7-dimethyl-8-(2-morpholin-4-ylethylamino)purine-2,6-dione
Also Known As: 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione, 1-[(3-chlorophenyl)methyl]-3,7-dimethyl-8-(2-morpholin-4-ylethylamino)purine-2,6-dione, 1-(3-chlorobenzyl)-3,7-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H25ClN6O3 |
|---|---|
| Molecular Weight | 432.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.16766 |
| Heavy Atoms | 30 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 847846-95-1 |
|---|---|
| SMILES | CN1C2=C(N=C1NCCN3CCOCC3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Cl)C |
| InChIKey | PYPPXYLGRBYOEH-UHFFFAOYSA-N |
Product Overview
1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 847846-95-1), with molecular formula C20H25ClN6O3 and molecular weight 432.17 g/mol. IUPAC: 1-[(3-chlorophenyl)methyl]-3,7-dimethyl-8-(2-morpholin-4-ylethylamino)purine-2,6-dione.
Chemical Property Profile of 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 6 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 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione is 847846-95-1.
What is the molecular formula of 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione is C20H25ClN6O3.
What is the molecular weight of 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione is 432.17 g/mol.
Where can I buy 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-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 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-chlorobenzyl)-3,7-dimethyl-8-((2-morpholinoethyl)amino)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.