RefChem:1053943
TL;DR: RefChem:1053943 (CAS 34763-34-3) is a chemical compound with molecular formula C20H16Cl2N2S2 and molecular weight 418.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(2-chlorophenyl)-1-(4-chlorophenyl)ethyl] N-pyridin-3-ylcarbamodithioate
Also Known As: (2-Chlorophenyl)methyl (4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate, butyl 4-chlorobenzyl pyridin-3-ylcarbonodithioimidate, Carbonimidodithioic acid, 3-pyridinyl-, (2-chlorophenyl)methyl (4-chlorophenyl)methyl ester, [1-(2-chlorophenyl)-1-(4-chlorophenyl)ethyl] N-pyridin-3-ylcarbamodithioate, 1-(2-Chlorophenyl)-1-(4-chlorophenyl)ethyl hydrogen pyridin-3-ylcarbonodithioimidate
| Molecular Formula | C20H16Cl2N2S2 |
|---|---|
| Molecular Weight | 418.01 g/mol |
| LogP | 6.7821 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.01318 |
| Heavy Atoms | 26 |
| Complexity | 901.19946 |
Chemical Identifiers
| CAS Number | 34763-34-3 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)Cl)(C2=CC=CC=C2Cl)SC(=S)NC3=CN=CC=C3 |
Product Overview
RefChem:1053943 (CAS 34763-34-3), with molecular formula C20H16Cl2N2S2 and molecular weight 418.01 g/mol. IUPAC: [1-(2-chlorophenyl)-1-(4-chlorophenyl)ethyl] N-pyridin-3-ylcarbamodithioate.
Chemical Property Profile of RefChem:1053943
Property Insights of RefChem:1053943
The XLogP value of 6.7821 indicates that RefChem:1053943 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, RefChem:1053943 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053943 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1053943?
The CAS number of RefChem:1053943 is 34763-34-3.
What is the molecular formula of RefChem:1053943?
The molecular formula of RefChem:1053943 is C20H16Cl2N2S2.
What is the molecular weight of RefChem:1053943?
The molecular weight of RefChem:1053943 is 418.01 g/mol.
Where can I buy RefChem:1053943?
You can request a quote for RefChem:1053943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053943?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.