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4-Methylbicyclo[2.2.2]octane-1-carboxylic acid
TL;DR: 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid (CAS 702-67-0) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbicyclo[2.2.2]octane-1-carboxylic acid
Also Known As: 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid, Hexafluor-dihydro-furan-2-on, Bicyclo[2.2.2]octane-1-carboxylic acid, 4-methyl-, 1-methylbicyclo[2.2.2]octane-4-carboxylic acid, Bicyclo(2.2.2)octane-1-carboxylic acid, 4-methyl-
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 702-67-0 |
|---|---|
| SMILES | CC12CCC(CC1)(CC2)C(=O)O |
| InChIKey | VAIOYMYTWWCODC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylbicyclo[2.2.2]octane-1-carboxylic acid (CAS 702-67-0), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 4-methylbicyclo[2.2.2]octane-1-carboxylic acid.
Chemical Property Profile of 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid
Property Insights of 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylbicyclo[2.2.2]octane-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 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid?
The CAS number of 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid is 702-67-0.
What is the molecular formula of 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid?
The molecular formula of 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid is C10H16O2.
What is the molecular weight of 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid?
The molecular weight of 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid is 168.12 g/mol.
Where can I buy 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid?
You can request a quote for 4-Methylbicyclo[2.2.2]octane-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 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbicyclo[2.2.2]octane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.