7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 877791-07-6) is a chemical compound with molecular formula C23H32N6O5 and molecular weight 472.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione
Also Known As: 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione, 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-{[3-(morpholin-4-yl)propyl]amino}-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C23H32N6O5 |
|---|---|
| Molecular Weight | 472.24 g/mol |
| LogP | 0.30582 |
| Topological Polar Surface Area | 126.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 472.2434 |
| Heavy Atoms | 34 |
| Complexity | 1226.7943 |
Chemical Identifiers
| CAS Number | 877791-07-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCCN4CCOCC4)N(C(=O)NC3=O)C)O |
Product Overview
7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione (CAS 877791-07-6), with molecular formula C23H32N6O5 and molecular weight 472.24 g/mol. IUPAC: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione.
Chemical Property Profile of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.30582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione. The TPSA of 126.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione has 3 hydrogen bond donor(s) and 8 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 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione is 877791-07-6.
What is the molecular formula of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione is C23H32N6O5.
What is the molecular weight of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione is 472.24 g/mol.
Where can I buy 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)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 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-8-((3-morpholinopropyl)amino)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.