Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate
TL;DR: Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate (CAS 189193-10-0) is a chemical compound with molecular formula C16H30N2O6 and molecular weight 346.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate
Also Known As: BAS 00110715, diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate, 1,7-Dioxa-4,10-diazacyclododecane-4,10-diacetic acid diethyl ester, ETHYL 2-[10-(2-ETHOXY-2-OXOETHYL)-1,7-DIOXA-4,10-DIAZACYCLODODECAN-4-YL]ACETATE, 2,2 -(1,7-Dioxa-4,10-diazacyclododecane-4,10-diyl)bis(acetic acid ethyl) ester
| Molecular Formula | C16H30N2O6 |
|---|---|
| Molecular Weight | 346.21 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.2104 |
| Heavy Atoms | 24 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 189193-10-0 |
|---|---|
| SMILES | CCOC(=O)CN1CCOCCN(CCOCC1)CC(=O)OCC |
| InChIKey | WAZKGEQZEWOVPR-UHFFFAOYSA-N |
Product Overview
Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate (CAS 189193-10-0), with molecular formula C16H30N2O6 and molecular weight 346.21 g/mol. IUPAC: ethyl 2-[10-(2-ethoxy-2-oxoethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetate.
Chemical Property Profile of Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate
Property Insights of Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate. Following Lipinski's Rule of Five, Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate 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 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate?
The CAS number of Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate is 189193-10-0.
What is the molecular formula of Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate?
The molecular formula of Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate is C16H30N2O6.
What is the molecular weight of Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate?
The molecular weight of Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate is 346.21 g/mol.
Where can I buy Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate?
You can request a quote for Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.