(4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate
TL;DR: (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate (CAS 394-75-2) is a chemical compound with molecular formula C21H27ClN2S2 and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methylsulfanyl]-1-octylsulfanyl-N-pyridin-3-ylmethanimine
Also Known As: KST-1A4524, (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate, 4-chlorobenzyl octyl pyridin-3-ylcarbonimidodithioate, butyl 4-chlorobenzyl pyridin-3-ylcarbonodithioimidate, (4-chlorophenyl)methyl octyl-3-pyridinylcarbonimidodithioate
| Molecular Formula | C21H27ClN2S2 |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 406.13043 |
| Heavy Atoms | 26 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 394-75-2 |
|---|---|
| SMILES | CCCCCCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)Cl |
| InChIKey | CFRVOIMGLDDJCT-UHFFFAOYSA-N |
Product Overview
(4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate (CAS 394-75-2), with molecular formula C21H27ClN2S2 and molecular weight 406.13 g/mol. IUPAC: 1-[(4-chlorophenyl)methylsulfanyl]-1-octylsulfanyl-N-pyridin-3-ylmethanimine.
Chemical Property Profile of (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate
Property Insights of (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate
The XLogP value of 8.1 indicates that (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate. Following Lipinski's Rule of Five, (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate has 0 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 (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate?
The CAS number of (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate is 394-75-2.
What is the molecular formula of (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate?
The molecular formula of (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate is C21H27ClN2S2.
What is the molecular weight of (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate?
The molecular weight of (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate is 406.13 g/mol.
Where can I buy (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate?
You can request a quote for (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)methyl octyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.