Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid
TL;DR: Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid (CAS 2534-80-7) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[2.2.2]oct-2-ene-1-carboxylic acid
Also Known As: Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid, Bicyclo[2.2.2]oct-2-ene-1-carboxylic acid, 1-carboxybicyclo[2.2.2]oct-2-ene, bicyclo[2.2.2]oct-2-ene-4-carboxylic acid, Bicyclo<2.2.2>oct-2-en-1-carbonsaeure
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.08372 |
| Heavy Atoms | 11 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 2534-80-7 |
|---|---|
| SMILES | C1CC2(CCC1C=C2)C(=O)O |
| InChIKey | CKHVIPJAGMCQPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid (CAS 2534-80-7), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: bicyclo[2.2.2]oct-2-ene-1-carboxylic acid.
Chemical Property Profile of Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid
Property Insights of Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid has 1 hydrogen bond donor(s) and 2 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(2.2.2)oct-2-ene-1-carboxylic acid?
The CAS number of Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid is 2534-80-7.
What is the molecular formula of Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid?
The molecular formula of Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid is C9H12O2.
What is the molecular weight of Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid?
The molecular weight of Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid is 152.08 g/mol.
Where can I buy Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid?
You can request a quote for Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(2.2.2)oct-2-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.