Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate)
TL;DR: Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate) (CAS 313231-36-6) is a chemical compound with molecular formula C20H34N2O8 and molecular weight 430.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[10-(4-ethoxy-4-oxobutanoyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-4-oxobutanoate
Also Known As: diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate), ethyl 4-[10-(4-ethoxy-4-oxobutanoyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-4-oxobutanoate, ETHYL 4-[10-(4-ETHOXY-4-OXOBUTANOYL)-1,7-DIOXA-4,10-DIAZACYCLODODECAN-4-YL]-4-OXOBUTANOATE
| Molecular Formula | C20H34N2O8 |
|---|---|
| Molecular Weight | 430.23 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 430.2315 |
| Heavy Atoms | 30 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 313231-36-6 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)N1CCOCCN(CCOCC1)C(=O)CCC(=O)OCC |
| InChIKey | LBLNKZSKQFFNOT-UHFFFAOYSA-N |
Product Overview
Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate) (CAS 313231-36-6), with molecular formula C20H34N2O8 and molecular weight 430.23 g/mol. IUPAC: ethyl 4-[10-(4-ethoxy-4-oxobutanoyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-4-oxobutanoate.
Chemical Property Profile of Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate)
Property Insights of Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate)
The XLogP value of -1.1 indicates that Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate). Following Lipinski's Rule of Five, Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate) 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 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate)?
The CAS number of Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate) is 313231-36-6.
What is the molecular formula of Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate)?
The molecular formula of Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate) is C20H34N2O8.
What is the molecular weight of Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate)?
The molecular weight of Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate) is 430.23 g/mol.
Where can I buy Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate)?
You can request a quote for Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate)?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.