![1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester structure](/static/products/6846/68464-45-9.webp)
1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester
TL;DR: 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester (CAS 68464-45-9) is a chemical compound with molecular formula C17H12F3NO4 and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4,5,6-trifluoro-1-methylbenzo[de]quinoline-2,3-dicarboxylate
Also Known As: 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester, Dimethyl 4,5,6-trifluoro-1-methyl-1H-benzo[de]quinoline-2,3-dicarboxylate, dimethyl 4,5,6-trifluoro-1-methylbenzo[de]quinoline-2,3-dicarboxylate, 4,5,6-Trifluoro-1-methyl-1H-1-aza-phenalene-2,3-dicarboxylic acid dimethyl ester, 4,5,6-Trifluoro-1-methyl-1H-benzo[de]quinoline-2,3-dicarboxylic acid dimethyl ester
| Molecular Formula | C17H12F3NO4 |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.07184 |
| Heavy Atoms | 25 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 68464-45-9 |
|---|---|
| SMILES | CN1C2=CC=CC3=C2C(=C(C(=C3F)F)F)C(=C1C(=O)OC)C(=O)OC |
| InChIKey | REPKDAPIWRJHBB-UHFFFAOYSA-N |
Product Overview
1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester (CAS 68464-45-9), with molecular formula C17H12F3NO4 and molecular weight 351.07 g/mol. IUPAC: dimethyl 4,5,6-trifluoro-1-methylbenzo[de]quinoline-2,3-dicarboxylate.
Chemical Property Profile of 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester
Property Insights of 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester
The XLogP value of 3.4 indicates that 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester has 0 hydrogen bond donor(s) and 8 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 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester?
The CAS number of 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester is 68464-45-9.
What is the molecular formula of 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester?
The molecular formula of 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester is C17H12F3NO4.
What is the molecular weight of 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester?
The molecular weight of 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester is 351.07 g/mol.
Where can I buy 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester?
You can request a quote for 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzo[de]quinoline-2,3-dicarboxylic acid, 4,5,6-trifluoro-1-methyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.