7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 331726-13-7) is a chemical compound with molecular formula C22H35ClN4O2S and molecular weight 454.21692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(Z)-3-chlorobut-2-enyl]-8-dodecylsulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00491868, 7-(3-chloro-2-butenyl)-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione, 7-[(Z)-3-chlorobut-2-enyl]-8-dodecylsulfanyl-3-methylpurine-2,6-dione, 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-(dodecylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C22H35ClN4O2S |
| Molecular Weight | 454.21692 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 454.21692 Da |
| Heavy Atoms | 30 |
| Complexity | 589.0 |
| SMILES | CCCCCCCCCCCCSC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C |
| InChIKey | CWMLYUXOJSLHLC-VKAVYKQESA-N |
Chemical Property Profile of 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 7.2 indicates that 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-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
What is the CAS number of 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione is 331726-13-7.
What is the molecular formula of 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione is C22H35ClN4O2S.
What is the molecular weight of 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione is 454.21692 g/mol.
Where can I buy 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 7-(3-Chloro-but-2-enyl)-8-dodecylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.