8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 326919-33-9) is a chemical compound with molecular formula C17H25ClN4O2S and molecular weight 384.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-3-chlorobut-2-enyl]sulfanyl-7-heptyl-3-methylpurine-2,6-dione
Also Known As: BAS 00458025, AB00126841-02, 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione, 8-[(E)-3-chlorobut-2-enyl]sulfanyl-7-heptyl-3-methylpurine-2,6-dione, F0373-0612
| Molecular Formula | C17H25ClN4O2S |
|---|---|
| Molecular Weight | 384.14 g/mol |
| LogP | 3.6284 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 384.13867 |
| Heavy Atoms | 25 |
| Complexity | 861.8806 |
Chemical Identifiers
| CAS Number | 326919-33-9 |
|---|---|
| SMILES | CCCCCCCN1C2=C(N=C1SC/C=C(\C)/Cl)N(C(=O)NC2=O)C |
Product Overview
8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione (CAS 326919-33-9), with molecular formula C17H25ClN4O2S and molecular weight 384.14 g/mol. IUPAC: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-7-heptyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 3.6284 indicates that 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-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 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-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 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione is 326919-33-9.
What is the molecular formula of 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione is C17H25ClN4O2S.
What is the molecular weight of 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione is 384.14 g/mol.
Where can I buy 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-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 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3-Chloro-but-2-enylsulfanyl)-7-heptyl-3-methyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.