![5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid structure](/static/products/945/94562-76-2.png)
5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid
TL;DR: 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid (CAS 94562-76-2) is a chemical compound with molecular formula C12H7NO3 and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid
Also Known As: 3-oxo-3H-pyrrolo[2,1,5-de]quinolizine-1-carboxylic acid
| Molecular Formula | C12H7NO3 |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 1.5887 |
| Topological Polar Surface Area | 58.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.04259 |
| Heavy Atoms | 16 |
| Complexity | 757.34814 |
Chemical Identifiers
| CAS Number | 94562-76-2 |
|---|---|
| SMILES | C1=CC2=C(C=C3N2C(=C1)C=CC3=O)C(=O)O |
Product Overview
5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid (CAS 94562-76-2), with molecular formula C12H7NO3 and molecular weight 213.04 g/mol. IUPAC: 5-oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid.
Chemical Property Profile of 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid
Property Insights of 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid
The XLogP value of 1.5887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid. With a topological polar surface area (TPSA) of 58.78 Ų, 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-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-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid?
The CAS number of 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid is 94562-76-2.
What is the molecular formula of 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid?
The molecular formula of 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid is C12H7NO3.
What is the molecular weight of 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid?
The molecular weight of 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid is 213.04 g/mol.
Where can I buy 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid?
You can request a quote for 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-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-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-12-azatricyclo[6.3.1.04,12]dodeca-1,3,6,8,10-pentaene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.