![diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate structure](/static/products/7153/71539-03-2.webp)
diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
TL;DR: diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CAS 71539-03-2) is a chemical compound with molecular formula C16H22N2O9 and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Also Known As: diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2., Diethyl 5,6-bis[(acetyloxy)methyl]-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
| Molecular Formula | C16H22N2O9 |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 386.13254 |
| Heavy Atoms | 27 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 71539-03-2 |
|---|---|
| SMILES | CCOC(=O)N1C2C(=C(C(N1C(=O)OCC)O2)COC(=O)C)COC(=O)C |
| InChIKey | PUAQFRJKONMVPB-UHFFFAOYSA-N |
Product Overview
diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CAS 71539-03-2), with molecular formula C16H22N2O9 and molecular weight 386.13 g/mol. IUPAC: diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
Chemical Property Profile of diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Property Insights of diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
The XLogP value of -0.4 indicates that diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate 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 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The CAS number of diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is 71539-03-2.
What is the molecular formula of diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The molecular formula of diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is C16H22N2O9.
What is the molecular weight of diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The molecular weight of diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is 386.13 g/mol.
Where can I buy diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
You can request a quote for diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5,6-bis(acetyloxymethyl)-7-oxa-2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.