RefChem:332833
TL;DR: RefChem:332833 (CAS 105858-94-4) is a chemical compound with molecular formula C22H29N3O2S2 and molecular weight 431.1701 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-ethoxyphenyl)imino-2-(4-methoxyanilino)ethyl] N,N-diethylcarbamodithioate
Also Known As: Carbamodithioic acid, diethyl-, 2-((4-ethoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl ester, Diethylcarbamodithioic acid 2-((4-ethoxyphenyl)amino)-2-((4-methoxyphenyl)imino)ethyl ester, (2e)-2-[(4-ethoxyphenyl)amino]-2-[(4-methoxyphenyl)imino]ethyl diethylcarbamodithioate, (2E)-2-[(4-Ethoxyphenyl)imino]-2-(4-methoxyanilino)ethyl diethylcarbamodithioate, [2-(4-ethoxyphenyl)imino-2-(4-methoxyanilino)ethyl] N,N-diethylcarbamodithioate
Technical Specifications
| Molecular Formula | C22H29N3O2S2 |
| Molecular Weight | 431.1701 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 431.1701 Da |
| Heavy Atoms | 29 |
| Complexity | 498.0 |
| SMILES | CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)OCC)NC2=CC=C(C=C2)OC |
| InChIKey | IEIRTQHMYQQWSP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:332833
Property Insights of RefChem:332833
The XLogP value of 5.1 indicates that RefChem:332833 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:332833. Following Lipinski's Rule of Five, RefChem:332833 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:332833?
The CAS number of RefChem:332833 is 105858-94-4.
What is the molecular formula of RefChem:332833?
The molecular formula of RefChem:332833 is C22H29N3O2S2.
What is the molecular weight of RefChem:332833?
The molecular weight of RefChem:332833 is 431.1701 g/mol.
Where can I buy RefChem:332833?
You can request a quote for RefChem:332833 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:332833?
Yes, CoreyChem provides custom synthesis services for RefChem:332833 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.