7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 331726-08-0) is a chemical compound with molecular formula C16H23ClN4O2S and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(Z)-3-chlorobut-2-enyl]-8-hexylsulfanyl-3-methylpurine-2,6-dione
Also Known As: BAS 00491863, 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione, 7-[(2Z)-3-chlorobut-2-en-1-yl]-8-(hexylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(Z)-3-chlorobut-2-enyl]-8-hexylsulfanyl-3-methylpurine-2,6-dione, (Z)-7-(3-chlorobut-2-en-1-yl)-8-(hexylthio)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H23ClN4O2S |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 3.2383 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 370.12302 |
| Heavy Atoms | 24 |
| Complexity | 846.10504 |
Chemical Identifiers
| CAS Number | 331726-08-0 |
|---|---|
| SMILES | CCCCCCSC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C |
Product Overview
7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 331726-08-0), with molecular formula C16H23ClN4O2S and molecular weight 370.12 g/mol. IUPAC: 7-[(Z)-3-chlorobut-2-enyl]-8-hexylsulfanyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 3.2383 indicates that 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-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 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-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 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione is 331726-08-0.
What is the molecular formula of 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione is C16H23ClN4O2S.
What is the molecular weight of 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione is 370.12 g/mol.
Where can I buy 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-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-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-Chloro-but-2-enyl)-8-hexylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.