Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate)
TL;DR: Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate) (CAS 7596-14-7) is a chemical compound with molecular formula C20H28N2O8 and molecular weight 424.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[6-(4-ethoxycarbonyl-2,3-dioxopyrrolidin-1-yl)hexyl]-4,5-dioxopyrrolidine-3-carboxylate
Also Known As: Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate), ethyl 1-[6-(4-ethoxycarbonyl-2,3-dioxopyrrolidin-1-yl)hexyl]-4,5-dioxopyrrolidine-3-carboxylate, ETHYL 1-[6-(4-ETHOXYCARBONYL-2,3-DIOXO-PYRROLIDIN-1-YL)HEXYL]-4,5-DIOXO-PYRROLIDINE-3-CARBOXYLATE
| Molecular Formula | C20H28N2O8 |
|---|---|
| Molecular Weight | 424.18 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 424.18457 |
| Heavy Atoms | 30 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 7596-14-7 |
|---|---|
| SMILES | CCOC(=O)C1CN(C(=O)C1=O)CCCCCCN2CC(C(=O)C2=O)C(=O)OCC |
| InChIKey | VUVWFAVRKUHEIO-UHFFFAOYSA-N |
Product Overview
Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate) (CAS 7596-14-7), with molecular formula C20H28N2O8 and molecular weight 424.18 g/mol. IUPAC: ethyl 1-[6-(4-ethoxycarbonyl-2,3-dioxopyrrolidin-1-yl)hexyl]-4,5-dioxopyrrolidine-3-carboxylate.
Chemical Property Profile of Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate)
Property Insights of Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate)
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate). The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate). Following Lipinski's Rule of Five, Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate)?
The CAS number of Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate) is 7596-14-7.
What is the molecular formula of Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate)?
The molecular formula of Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate) is C20H28N2O8.
What is the molecular weight of Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate)?
The molecular weight of Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate) is 424.18 g/mol.
Where can I buy Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate)?
You can request a quote for Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate)?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1,1'-(hexane-1,6-diyl)bis(4,5-dioxopyrrolidine-3-carboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.