![5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid structure](/static/products/1212/1212445-41-4.webp)
5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid
TL;DR: 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid (CAS 1212445-41-4) is a chemical compound with molecular formula C11H14O5 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8,8-trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid
Also Known As: 5,8,8-trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid, AF-399/40768811, 1,8,8-trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-5-carboxylic Acid, (1R,5S)-5,8,8-TRIMETHYL-2,4-DIOXO-3-OXABICYCLO[3.2.1]OCTANE-1-CARBOXYLIC ACID
| Molecular Formula | C11H14O5 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 0.9671 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.08412 |
| Heavy Atoms | 16 |
| Complexity | 410.598 |
Chemical Identifiers
| CAS Number | 1212445-41-4 |
|---|---|
| SMILES | CC1(C2(CCC1(C(=O)OC2=O)C(=O)O)C)C |
Product Overview
5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid (CAS 1212445-41-4), with molecular formula C11H14O5 and molecular weight 226.08 g/mol. IUPAC: 5,8,8-trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid.
Chemical Property Profile of 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid
Property Insights of 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid
The XLogP value of 0.9671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid. Following Lipinski's Rule of Five, 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid has 1 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 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid?
The CAS number of 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid is 1212445-41-4.
What is the molecular formula of 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid?
The molecular formula of 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid is C11H14O5.
What is the molecular weight of 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid?
The molecular weight of 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid is 226.08 g/mol.
Where can I buy 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid?
You can request a quote for 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]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 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,8,8-Trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.