7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 331839-75-9) is a chemical compound with molecular formula C25H35ClN4O2S and molecular weight 490.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-8-dodecylsulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00618995, 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-8-dodecylsulfanyl-3-methylpurine-2,6-dione, 7-(4-chlorobenzyl)-8-(dodecylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-(4-Chloro-benzyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C25H35ClN4O2S |
|---|---|
| Molecular Weight | 490.22 g/mol |
| LogP | 6.138 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 490.21692 |
| Heavy Atoms | 33 |
| Complexity | 1134.2449 |
Chemical Identifiers
| CAS Number | 331839-75-9 |
|---|---|
| SMILES | CCCCCCCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C |
Product Overview
7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 331839-75-9), with molecular formula C25H35ClN4O2S and molecular weight 490.22 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-dodecylsulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 6.138 indicates that 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-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 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 331839-75-9.
What is the molecular formula of 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C25H35ClN4O2S.
What is the molecular weight of 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 490.22 g/mol.
Where can I buy 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-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 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-chlorobenzyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.