![Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate structure](/static/products/7232/7232-63-5.webp)
Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate
TL;DR: Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate (CAS 7232-63-5) is a chemical compound with molecular formula C36H32N6O12P2 and molecular weight 802.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[28-[(2-ethoxy-2-oxoethyl)amino]-9,28-dioxo-8,10,27,29,39,40-hexaoxa-18,19,37,38-tetraza-9λ5,28λ5-diphosphaheptacyclo[34.2.1.117,20.02,7.011,16.021,26.030,35]tetraconta-1(38),2,4,6,11,13,15,17,19,21,23,25,30,32,34,36-hexadecaen-9-yl]amino]acetate
Also Known As: Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate
| Molecular Formula | C36H32N6O12P2 |
|---|---|
| Molecular Weight | 802.16 g/mol |
| LogP | 6.8712 |
| Topological Polar Surface Area | 225.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 802.15533 |
| Heavy Atoms | 56 |
| Complexity | 2166.7188 |
Chemical Identifiers
| CAS Number | 7232-63-5 |
|---|---|
| SMILES | CCOC(=O)CNP1(=O)OC2=CC=CC=C2C3=NN=C(O3)C4=CC=CC=C4OP(=O)(OC5=CC=CC=C5C6=NN=C(O6)C7=CC=CC=C7O1)NCC(=O)OCC |
Product Overview
Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate (CAS 7232-63-5), with molecular formula C36H32N6O12P2 and molecular weight 802.16 g/mol. IUPAC: ethyl 2-[[28-[(2-ethoxy-2-oxoethyl)amino]-9,28-dioxo-8,10,27,29,39,40-hexaoxa-18,19,37,38-tetraza-9λ5,28λ5-diphosphaheptacyclo[34.2.1.117,20.02,7.011,16.021,26.030,35]tetraconta-1(38),2,4,6,11,13,15,17,19,21,23,25,30,32,34,36-hexadecaen-9-yl]amino]acetate.
Chemical Property Profile of Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate
Property Insights of Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate
The XLogP value of 6.8712 indicates that Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 225.56 Ų indicates high polarity, suggesting Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate?
The CAS number of Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate is 7232-63-5.
What is the molecular formula of Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate?
The molecular formula of Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate is C36H32N6O12P2.
What is the molecular weight of Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate?
The molecular weight of Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate is 802.16 g/mol.
Where can I buy Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate?
You can request a quote for Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}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'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-{[5,11-dioxo-4,6,10,12-tetraoxa-5lambda~5~,11lambda~5~-diphospha-2,8(2,5)-di([1,3,4]oxadiazola)-1,3,7,9(1,2)-tetrabenzenacyclododecaphane-5,11-diyl]bis(azanediyl)}diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.