3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione (CAS 303969-63-3) is a chemical compound with molecular formula C17H20N4O2S and molecular weight 344.13 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-propylpurine-2,6-dione
Also Known As: BAS 01107468, 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione, AB00131571-02, F0373-1244, 3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-propylpurine-2,6-dione
| Molecular Formula | C17H20N4O2S |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.1307 |
| Heavy Atoms | 24 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 303969-63-3 |
|---|---|
| SMILES | CCCN1C2=C(N=C1SCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C |
| InChIKey | LLMIGJHAHPEJAQ-UHFFFAOYSA-N |
Product Overview
3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione (CAS 303969-63-3), with molecular formula C17H20N4O2S and molecular weight 344.13 g/mol. IUPAC: 3-methyl-8-[(4-methylphenyl)methylsulfanyl]-7-propylpurine-2,6-dione.
Chemical Property Profile of 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-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-propyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione is 303969-63-3.
What is the molecular formula of 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione is C17H20N4O2S.
What is the molecular weight of 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione is 344.13 g/mol.
Where can I buy 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-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-propyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-8-((4-methylbenzyl)thio)-7-propyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.