1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione
TL;DR: 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione (CAS 330180-69-3) is a chemical compound with molecular formula C24H26N4O2S and molecular weight 434.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione
Also Known As: 1,7-dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione, 1,7-dibenzyl-8-butylsulfanyl-3-methyl-purine-2,6-dione, 1,7-dibenzyl-8-(butylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 1,7-dibenzyl-8-(butylsulfanyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,7-dibenzyl-8-(butylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C24H26N4O2S |
|---|---|
| Molecular Weight | 434.18 g/mol |
| LogP | 3.8855 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.17764 |
| Heavy Atoms | 31 |
| Complexity | 1290.6514 |
Chemical Identifiers
| CAS Number | 330180-69-3 |
|---|---|
| SMILES | CCCCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)CC4=CC=CC=C4 |
Product Overview
1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione (CAS 330180-69-3), with molecular formula C24H26N4O2S and molecular weight 434.18 g/mol. IUPAC: 1,7-dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione
Property Insights of 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione
The XLogP value of 3.8855 indicates that 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-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 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-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 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione?
The CAS number of 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione is 330180-69-3.
What is the molecular formula of 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione?
The molecular formula of 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione is C24H26N4O2S.
What is the molecular weight of 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione?
The molecular weight of 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione is 434.18 g/mol.
Where can I buy 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione?
You can request a quote for 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Dibenzyl-8-butylsulfanyl-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.