7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 877784-04-8) is a chemical compound with molecular formula C20H27N5O5 and molecular weight 417.20 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]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione
Also Known As: 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione, 6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-[(3-methoxypropyl)amino]-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C20H27N5O5 |
|---|---|
| Molecular Weight | 417.20 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.20123 |
| Heavy Atoms | 30 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 877784-04-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCCOC)N(C(=O)NC3=O)C)O |
| InChIKey | LKIABMLHVNDEKS-UHFFFAOYSA-N |
Product Overview
7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 877784-04-8), with molecular formula C20H27N5O5 and molecular weight 417.20 g/mol. IUPAC: 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione has 3 hydrogen bond donor(s) and 7 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)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is 877784-04-8.
What is the molecular formula of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is C20H27N5O5.
What is the molecular weight of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is 417.20 g/mol.
Where can I buy 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-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 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-hydroxy-3-(m-tolyloxy)propyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.