5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid
TL;DR: 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid (CAS 355412-64-5) is a chemical compound with molecular formula C17H15NO6 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzene-1,3-dicarboxylic acid
Also Known As: 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid, 5-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)isophthalic acid, 5-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)isophthalic acid, 5-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-4-yl)benzene-1,3-dicarboxylic acid, 5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzene-1,3-dicarboxylic acid
| Molecular Formula | C17H15NO6 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 1.6185 |
| Topological Polar Surface Area | 111.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.08994 |
| Heavy Atoms | 24 |
| Complexity | 740.02057 |
Chemical Identifiers
| CAS Number | 355412-64-5 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)C4=CC(=CC(=C4)C(=O)O)C(=O)O |
Product Overview
5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid (CAS 355412-64-5), with molecular formula C17H15NO6 and molecular weight 329.09 g/mol. IUPAC: 5-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid
Property Insights of 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid
The XLogP value of 1.6185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid. The TPSA of 111.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid has 2 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-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid?
The CAS number of 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid is 355412-64-5.
What is the molecular formula of 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid?
The molecular formula of 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid is C17H15NO6.
What is the molecular weight of 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid?
The molecular weight of 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid is 329.09 g/mol.
Where can I buy 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid?
You can request a quote for 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.