![Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester structure](/static/products/2291/22915-40-8.webp)
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester
TL;DR: Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester (CAS 22915-40-8) is a chemical compound with molecular formula C17H26O4 and molecular weight 294.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Also Known As: 1-phenyl-1-ethylthioethene, dibutyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester
| Molecular Formula | C17H26O4 |
|---|---|
| Molecular Weight | 294.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 294.1831 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 22915-40-8 |
|---|---|
| SMILES | CCCCOC(=O)C1C2CC(C1C(=O)OCCCC)C=C2 |
| InChIKey | JFFRIBIWDZTESQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester (CAS 22915-40-8), with molecular formula C17H26O4 and molecular weight 294.18 g/mol. IUPAC: dibutyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
Chemical Property Profile of Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester
Property Insights of Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester
The XLogP value of 3.5 indicates that Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester 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 Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester?
The CAS number of Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester is 22915-40-8.
What is the molecular formula of Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester?
The molecular formula of Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester is C17H26O4.
What is the molecular weight of Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester?
The molecular weight of Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester is 294.18 g/mol.
Where can I buy Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester?
You can request a quote for Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.