diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate)
TL;DR: diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate) (CAS 312943-09-2) is a chemical compound with molecular formula C22H38N2O9 and molecular weight 474.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[13-(4-ethoxy-4-oxobutanoyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-4-oxobutanoate
Also Known As: diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate), 4-[13-(3-Ethoxycarbonyl-propionyl)-1,4,10-trioxa-7,13-diaza-cyclopentadec-7-yl]-4-oxo-butyric acid ethyl ester, ethyl 4-[13-(4-ethoxy-4-oxobutanoyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-4-oxobutanoate
| Molecular Formula | C22H38N2O9 |
|---|---|
| Molecular Weight | 474.26 g/mol |
| LogP | 0.3936 |
| Topological Polar Surface Area | 120.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.25772 |
| Heavy Atoms | 33 |
| Complexity | 550.4156 |
Chemical Identifiers
| CAS Number | 312943-09-2 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)N1CCOCCN(CCOCCOCC1)C(=O)CCC(=O)OCC |
Product Overview
diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate) (CAS 312943-09-2), with molecular formula C22H38N2O9 and molecular weight 474.26 g/mol. IUPAC: ethyl 4-[13-(4-ethoxy-4-oxobutanoyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-4-oxobutanoate.
Chemical Property Profile of diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate)
Property Insights of diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate)
The XLogP value of 0.3936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate). The TPSA of 120.91 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate). Following Lipinski's Rule of Five, diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate) has 0 hydrogen bond donor(s) and 9 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'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate)?
The CAS number of diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate) is 312943-09-2.
What is the molecular formula of diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate)?
The molecular formula of diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate) is C22H38N2O9.
What is the molecular weight of diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate)?
The molecular weight of diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate) is 474.26 g/mol.
Where can I buy diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate)?
You can request a quote for diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-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'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate)?
Yes, KEHONG BIO provides custom synthesis services for diethyl 4,4'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis(4-oxobutanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.