1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 378199-26-9) 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.
1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione
Also Known As: 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione, F1051-0091, 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione, 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-{[(4-methylphenyl)methyl]sulfanyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3-DI-ME-7-(3-ME-BENZYL)-8-((4-ME-BENZYL)THIO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C23H24N4O2S |
|---|---|
| Molecular Weight | 420.16 g/mol |
| LogP | 3.39114 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.162 |
| Heavy Atoms | 30 |
| Complexity | 1346.8739 |
Chemical Identifiers
| CAS Number | 378199-26-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(N2CC4=CC=CC(=C4)C)C(=O)N(C(=O)N3C)C |
Product Overview
1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 378199-26-9), with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol. IUPAC: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.39114 indicates that 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione has 0 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 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione is 378199-26-9.
What is the molecular formula of 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione is C23H24N4O2S.
What is the molecular weight of 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione is 420.16 g/mol.
Where can I buy 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-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 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-(3-methylbenzyl)-8-((4-methylbenzyl)thio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.