3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 384374-83-8) is a chemical compound with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: AB00673541-01, 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, F1167-0121, 3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-(3-phenylpropyl)purine-2,6-dione, 3-methyl-8-{[(4-methylphenyl)methyl]sulfanyl}-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C23H24N4O2S |
|---|---|
| Molecular Weight | 420.16 g/mol |
| LogP | 3.65682 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.162 |
| Heavy Atoms | 30 |
| Complexity | 1271.0449 |
Chemical Identifiers
| CAS Number | 384374-83-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C |
Product Overview
3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 384374-83-8), with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol. IUPAC: 3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.65682 indicates that 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 4 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 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 384374-83-8.
What is the molecular formula of 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is C23H24N4O2S.
What is the molecular weight of 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 420.16 g/mol.
Where can I buy 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-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 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-((4-methylbenzyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.