7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 862199-29-9) is a chemical compound with molecular formula C22H31N5O5 and molecular weight 445.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
Also Known As: 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione, 6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C22H31N5O5 |
|---|---|
| Molecular Weight | 445.23 g/mol |
| LogP | 1.39862 |
| Topological Polar Surface Area | 123.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 445.2325 |
| Heavy Atoms | 32 |
| Complexity | 1146.4584 |
Chemical Identifiers
| CAS Number | 862199-29-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCCCOC(C)C)N(C(=O)NC3=O)C)O |
Product Overview
7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 862199-29-9), with molecular formula C22H31N5O5 and molecular weight 445.23 g/mol. IUPAC: 7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione.
Chemical Property Profile of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.39862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 123.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)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-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is 862199-29-9.
What is the molecular formula of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is C22H31N5O5.
What is the molecular weight of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is 445.23 g/mol.
Where can I buy 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)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-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-hydroxy-3-(p-tolyloxy)propyl)-8-((3-isopropoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.