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Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate
TL;DR: Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate (CAS 21436-91-9) 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[4.1.0]hept-3-ene-7,7-dicarboxylate
Also Known As: diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate, 5-Butyl-1-(4-hydroxycyclohexyl)barbituric acid propionate (ester)
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 2.2 |
| 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 | 324.0 |
Chemical Identifiers
| CAS Number | 21436-91-9 |
|---|---|
| SMILES | CCOC(=O)C1(C2C1CC=CC2)C(=O)OCC |
| InChIKey | PHAMSSONVHXAAU-UHFFFAOYSA-N |
Product Overview
Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate (CAS 21436-91-9), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate.
Chemical Property Profile of Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate
Property Insights of Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl bicyclo[4.1.0]hept-3-ene-7,7-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[4.1.0]hept-3-ene-7,7-dicarboxylate?
The CAS number of Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate is 21436-91-9.
What is the molecular formula of Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate?
The molecular formula of Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate is C13H18O4.
What is the molecular weight of Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate?
The molecular weight of Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate is 238.12 g/mol.
Where can I buy Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate?
You can request a quote for Diethyl bicyclo[4.1.0]hept-3-ene-7,7-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[4.1.0]hept-3-ene-7,7-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.