Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate)
TL;DR: Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate) (CAS 148942-64-7) is a chemical compound with molecular formula C12H24N2O4S2 and molecular weight 324.11774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[2-[(1-ethoxy-1-oxo-3-sulfanylpropan-2-yl)amino]ethylamino]-3-sulfanylpropanoate
Also Known As: Bicisate, Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate), Diethyl 2,2'-[ethane-1,2-diylbis(azanediyl)]bis(3-sulfanylpropanoate), Ethyl 2-[2-[(1-ethoxycarbonyl-2-sulfanyl-ethyl)amino]ethylamino]-3-sulfanyl-propanoate
Technical Specifications
| Molecular Formula | C12H24N2O4S2 |
| Molecular Weight | 324.11774 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 78.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 324.11774 Da |
| Heavy Atoms | 20 |
| Complexity | 265.0 |
| SMILES | CCOC(=O)C(CS)NCCNC(CS)C(=O)OCC |
| InChIKey | RZQNBTMGBODDSK-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate)
Property Insights of Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate)
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate). The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate). Following Lipinski's Rule of Five, Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate) has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate)?
The CAS number of Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate) is 148942-64-7.
What is the molecular formula of Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate)?
The molecular formula of Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate) is C12H24N2O4S2.
What is the molecular weight of Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate)?
The molecular weight of Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate) is 324.11774 g/mol.
Where can I buy Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate)?
You can request a quote for Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate)?
Yes, CoreyChem provides custom synthesis services for Diethyl 2,2'-(1,2-ethanediyldiimino)bis(3-sulfanylpropanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.