8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 313469-93-1) is a chemical compound with molecular formula C24H26N4O4S and molecular weight 466.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-hydroxy-3-(2-methylphenoxy)propyl]sulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 6-hydroxy-8-{[2-hydroxy-3-(2-methylphenoxy)propyl]sulfanyl}-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-2H-purin-2-one, 8-[2-hydroxy-3-(2-methylphenoxy)propyl]sulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
| Molecular Formula | C24H26N4O4S |
|---|---|
| Molecular Weight | 466.17 g/mol |
| LogP | 2.62044 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.16748 |
| Heavy Atoms | 33 |
| Complexity | 1388.5994 |
Chemical Identifiers
| CAS Number | 313469-93-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(COC4=CC=CC=C4C)O)N(C(=O)NC3=O)C |
Product Overview
8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 313469-93-1), with molecular formula C24H26N4O4S and molecular weight 466.17 g/mol. IUPAC: 8-[2-hydroxy-3-(2-methylphenoxy)propyl]sulfanyl-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.62044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione has 2 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 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 313469-93-1.
What is the molecular formula of 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is C24H26N4O4S.
What is the molecular weight of 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 466.17 g/mol.
Where can I buy 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-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-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-hydroxy-3-(o-tolyloxy)propyl)thio)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.