RefChem:332835
TL;DR: RefChem:332835 (CAS 105858-93-3) is a chemical compound with molecular formula C21H27N3O2S2 and molecular weight 417.15448 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-methoxyanilino)-2-(4-methoxyphenyl)iminoethyl] N,N-diethylcarbamodithioate
Also Known As: Carbamodithioic acid, diethyl-, 2-((4-methoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl ester, Diethylcarbamodithioic acid 2-((4-methoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl ester, [2-(4-Methoxyanilino)-2-(4-methoxyphenyl)iminoethyl]n,N-diethylcarbamodithioate, (2E)-2-(4-Methoxyanilino)-2-[(4-methoxyphenyl)imino]ethyl diethylcarbamodithioate, (2e)-2-[(4-methoxyphenyl)amino]-2-[(4-methoxyphenyl)imino]ethyl diethylcarbamodithioate
Technical Specifications
| Molecular Formula | C21H27N3O2S2 |
| Molecular Weight | 417.15448 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.15448 Da |
| Heavy Atoms | 28 |
| Complexity | 484.0 |
| SMILES | CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)OC)NC2=CC=C(C=C2)OC |
| InChIKey | WYDYSOVZDXKIMI-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:332835
Property Insights of RefChem:332835
The XLogP value of 4.7 indicates that RefChem:332835 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332835. Following Lipinski's Rule of Five, RefChem:332835 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:332835?
The CAS number of RefChem:332835 is 105858-93-3.
What is the molecular formula of RefChem:332835?
The molecular formula of RefChem:332835 is C21H27N3O2S2.
What is the molecular weight of RefChem:332835?
The molecular weight of RefChem:332835 is 417.15448 g/mol.
Where can I buy RefChem:332835?
You can request a quote for RefChem:332835 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:332835?
Yes, CoreyChem provides custom synthesis services for RefChem:332835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.