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Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
TL;DR: Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CAS 5510-69-0) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Also Known As: Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, J1.186.389B, 2,3-diaza-norborn-5-ene-2,3-dicarboxylic acid dimethyl ester, 2,3-Diazabicyclo[2.2.1]hept-5-ene, 2,3-bis(methoxycarbonyl)-, Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate #
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 5510-69-0 |
|---|---|
| SMILES | COC(=O)N1C2CC(N1C(=O)OC)C=C2 |
| InChIKey | SCFCVOANRYOSSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate (CAS 5510-69-0), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
Chemical Property Profile of Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Property Insights of Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate. With a topological polar surface area (TPSA) of 59.1 Ų, Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate has 0 hydrogen bond donor(s) and 4 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 Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The CAS number of Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is 5510-69-0.
What is the molecular formula of Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The molecular formula of Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is C9H12N2O4.
What is the molecular weight of Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
The molecular weight of Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate is 212.08 g/mol.
Where can I buy Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
You can request a quote for Dimethyl 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 Dimethyl 2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 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.