![Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate structure](/static/products/313/313366-95-9.png)
Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate
TL;DR: Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate (CAS 313366-95-9) is a chemical compound with molecular formula C22H20N6O5 and molecular weight 448.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[5-(4-ethoxycarbonylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]benzoate
Also Known As: BAS 00314167, diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate, ethyl 4-[[5-(4-ethoxycarbonylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]benzoate, ethyl 4-[(6-{[4-(ethoxycarbonyl)phenyl]amino}-1,2,5-oxadiazolo[3,4-e]pyrazin-5 -yl)amino]benzoate
| Molecular Formula | C22H20N6O5 |
|---|---|
| Molecular Weight | 448.15 g/mol |
| LogP | 3.8534 |
| Topological Polar Surface Area | 141.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.1495 |
| Heavy Atoms | 33 |
| Complexity | 1173.4359 |
Chemical Identifiers
| CAS Number | 313366-95-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=NC3=NON=C3N=C2NC4=CC=C(C=C4)C(=O)OCC |
Product Overview
Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate (CAS 313366-95-9), with molecular formula C22H20N6O5 and molecular weight 448.15 g/mol. IUPAC: ethyl 4-[[5-(4-ethoxycarbonylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]benzoate.
Chemical Property Profile of Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate
Property Insights of Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate
The XLogP value of 3.8534 indicates that Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.36 Ų indicates high polarity, suggesting Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate?
The CAS number of Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate is 313366-95-9.
What is the molecular formula of Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate?
The molecular formula of Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate is C22H20N6O5.
What is the molecular weight of Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate?
The molecular weight of Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate is 448.15 g/mol.
Where can I buy Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate?
You can request a quote for Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate 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'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4,4'-([1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diylbis(azanediyl))dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.