![3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine structure](/static/products/5589/5589-90-2.webp)
3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine
TL;DR: 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine (CAS 5589-90-2) is a chemical compound with molecular formula C25H19Cl3N2S3 and molecular weight 547.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-tris[(4-chlorophenyl)methylsulfanyl]pyridazine
Also Known As: 2-Butylamino-benzonitril, 3,4,5-tris[(4-chlorobenzyl)sulfanyl]pyridazine, 3,4,5-tris[(4-chlorophenyl)methylsulfanyl]pyridazine, 3,4,5-Tris{[(4-chlorophenyl)methyl]sulfanyl}pyridazine, Pyridazine,3,4,5-tris[[(4-chlorophenyl)methyl]thio]-
| Molecular Formula | C25H19Cl3N2S3 |
|---|---|
| Molecular Weight | 547.98 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 547.9776 |
| Heavy Atoms | 33 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 5589-90-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=CN=NC(=C2SCC3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)Cl)Cl |
| InChIKey | KECSQDSJBGFWLD-UHFFFAOYSA-N |
Product Overview
3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine (CAS 5589-90-2), with molecular formula C25H19Cl3N2S3 and molecular weight 547.98 g/mol. IUPAC: 3,4,5-tris[(4-chlorophenyl)methylsulfanyl]pyridazine.
Chemical Property Profile of 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine
Property Insights of 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine
The XLogP value of 8.1 indicates that 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine. Following Lipinski's Rule of Five, 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine?
The CAS number of 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine is 5589-90-2.
What is the molecular formula of 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine?
The molecular formula of 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine is C25H19Cl3N2S3.
What is the molecular weight of 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine?
The molecular weight of 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine is 547.98 g/mol.
Where can I buy 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine?
You can request a quote for 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Tris[(4-chlorobenzyl)sulfanyl]pyridazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.