(4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate
TL;DR: (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate (CAS 41643-24-7) is a chemical compound with molecular formula C31H47ClN2S2 and molecular weight 546.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methylsulfanyl]-1-octadecylsulfanyl-N-pyridin-3-ylmethanimine
Also Known As: (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate, Carbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl octadecyl ester, (4-chlorophenyl)methyl octadecyl-3-pyridinylcarbonimidodithioate, 1-[(4-chlorophenyl)methylsulfanyl]-1-octadecylsulfanyl-N-pyridin-3-ylmethanimine, Carbonimidodithioic acid,3-pyridinyl-,(4-chlorophenyl)methyl octadecyl ester
| Molecular Formula | C31H47ClN2S2 |
|---|---|
| Molecular Weight | 546.29 g/mol |
| LogP | 11.6506 |
| Topological Polar Surface Area | 25.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 546.2869 |
| Heavy Atoms | 36 |
| Complexity | 795.98267 |
Chemical Identifiers
| CAS Number | 41643-24-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)Cl |
Product Overview
(4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate (CAS 41643-24-7), with molecular formula C31H47ClN2S2 and molecular weight 546.29 g/mol. IUPAC: 1-[(4-chlorophenyl)methylsulfanyl]-1-octadecylsulfanyl-N-pyridin-3-ylmethanimine.
Chemical Property Profile of (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate
Property Insights of (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate
The XLogP value of 11.6506 indicates that (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.25 Ų, (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)methyl octadecyl 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 octadecyl 3-pyridinylcarbonimidodithioate?
The CAS number of (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate is 41643-24-7.
What is the molecular formula of (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate?
The molecular formula of (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate is C31H47ClN2S2.
What is the molecular weight of (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate?
The molecular weight of (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate is 546.29 g/mol.
Where can I buy (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate?
You can request a quote for (4-Chlorophenyl)methyl octadecyl 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 octadecyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)methyl octadecyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.