![3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid structure](/static/products/4620/462065-44-7.webp)
3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid
TL;DR: 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid (CAS 462065-44-7) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid
Also Known As: ChemDiv2_000162, 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid, 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid [M+H]+
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 1.0488 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 298.49713 |
Chemical Identifiers
| CAS Number | 462065-44-7 |
|---|---|
| SMILES | CC1CC2(CC(C1C(=O)O)C(=O)O2)C |
Product Overview
3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid (CAS 462065-44-7), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: 3,5-dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid.
Chemical Property Profile of 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid
Property Insights of 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid
The XLogP value of 1.0488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid. Following Lipinski's Rule of Five, 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid?
The CAS number of 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid is 462065-44-7.
What is the molecular formula of 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid?
The molecular formula of 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid is C10H14O4.
What is the molecular weight of 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid?
The molecular weight of 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid is 198.09 g/mol.
Where can I buy 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid?
You can request a quote for 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.