![8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione structure](/static/products/3770/377056-09-2.webp)
8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione
TL;DR: 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione (CAS 377056-09-2) is a chemical compound with molecular formula C29H42ClFN4O2S and molecular weight 564.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione
Also Known As: 8-((2-chloro-6-fluorobenzyl)thio)-7-hexadecyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione, 8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-hexadecyl-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-7-hexadecyl-3-methyl-purine-2,6-dione, 8-[(2-chloro-6-fluorobenzyl)thio]-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C29H42ClFN4O2S |
|---|---|
| Molecular Weight | 564.27 g/mol |
| LogP | 7.9894 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 564.2701 |
| Heavy Atoms | 38 |
| Complexity | 1249.6722 |
Chemical Identifiers
| CAS Number | 377056-09-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C |
Product Overview
8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione (CAS 377056-09-2), with molecular formula C29H42ClFN4O2S and molecular weight 564.27 g/mol. IUPAC: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione
Property Insights of 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione
The XLogP value of 7.9894 indicates that 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-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-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-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 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione?
The CAS number of 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione is 377056-09-2.
What is the molecular formula of 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione?
The molecular formula of 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione is C29H42ClFN4O2S.
What is the molecular weight of 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione?
The molecular weight of 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione is 564.27 g/mol.
Where can I buy 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione?
You can request a quote for 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-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 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-7-hexadecyl-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.