![5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid structure](/static/products/566/56689-13-5.png)
5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid
TL;DR: 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid (CAS 56689-13-5) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.4085 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 407.0903 |
Chemical Identifiers
| CAS Number | 56689-13-5 |
|---|---|
| SMILES | C1CC2C=CC1C3C2(C=CC3=O)C(=O)O |
Product Overview
5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid (CAS 56689-13-5), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 5-oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid.
Chemical Property Profile of 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid
Property Insights of 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid
The XLogP value of 1.4085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-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 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid?
The CAS number of 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid is 56689-13-5.
What is the molecular formula of 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid?
The molecular formula of 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid is C12H12O3.
What is the molecular weight of 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid?
The molecular weight of 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid is 204.08 g/mol.
Where can I buy 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid?
You can request a quote for 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-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 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxotricyclo[5.2.2.02,6]undeca-3,8-diene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.