2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide
TL;DR: 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide (CAS 1683-34-7) is a chemical compound with molecular formula C15H9Cl2FN2S and molecular weight 337.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dichlorophenyl)methylsulfanyl]-8-fluorocinnoline
Also Known As: 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide, 4-((2,4-Dichlorobenzyl)thio)-8-fluorocinnoline, 4-[(2,4-dichlorophenyl)methylsulfanyl]-8-fluorocinnoline, 4-[(2,4-DICHLOROPHENYL)METHYLSULFANYL]-8-FLUORO-CINNOLINE, 4-[[(2,4-Dichlorophenyl)methyl]thio]-8-fluorocinnoline
| Molecular Formula | C15H9Cl2FN2S |
|---|---|
| Molecular Weight | 337.98 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.98474 |
| Heavy Atoms | 21 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 1683-34-7 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)F)N=NC=C2SCC3=C(C=C(C=C3)Cl)Cl |
| InChIKey | WIUFJAFQRZXBDB-UHFFFAOYSA-N |
Product Overview
2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide (CAS 1683-34-7), with molecular formula C15H9Cl2FN2S and molecular weight 337.98 g/mol. IUPAC: 4-[(2,4-dichlorophenyl)methylsulfanyl]-8-fluorocinnoline.
Chemical Property Profile of 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide
Property Insights of 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide
The XLogP value of 4.5 indicates that 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide has 0 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 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide?
The CAS number of 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide is 1683-34-7.
What is the molecular formula of 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide?
The molecular formula of 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide is C15H9Cl2FN2S.
What is the molecular weight of 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide?
The molecular weight of 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide is 337.98 g/mol.
Where can I buy 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide?
You can request a quote for 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichlorobenzyl 8-fluoro-4-cinnolinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.