Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
TL;DR: Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate (CAS 65394-89-0) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Also Known As: Diethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, J1.353.959F, diethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate, bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid diethyl ester
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 65394-89-0 |
|---|---|
| SMILES | CCOC(=O)C1C2CC(C1C(=O)OCC)C=C2 |
| InChIKey | UXRMRBNLTQHPEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate (CAS 65394-89-0), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: diethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
Chemical Property Profile of Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
Property Insights of Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl bicyclo(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, Diethyl bicyclo(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 Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate?
The CAS number of Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate is 65394-89-0.
What is the molecular formula of Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate?
The molecular formula of Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate is C13H18O4.
What is the molecular weight of Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate?
The molecular weight of Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate is 238.12 g/mol.
Where can I buy Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate?
You can request a quote for Diethyl bicyclo(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 bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.