7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate
TL;DR: 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate (CAS 52207-84-8) is a chemical compound with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-nitroquinolin-8-yl) 2,3,5,6-tetramethylbenzoate
Also Known As: Benzoic acid, 2,3,5,6-tetramethyl-, 7-nitro-8-quinolinyl ester, 8-Quinolinol, 7-nitro-, 2,3,5,6-tetramethylbenzoate, 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate, 7-Nitroquinolin-8-yl 2,3,5,6-tetramethylbenzoate, (7-nitroquinolin-8-yl) 2,3,5,6-tetramethylbenzoate
| Molecular Formula | C20H18N2O4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 4.59588 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.12665 |
| Heavy Atoms | 26 |
| Complexity | 1031.1008 |
Chemical Identifiers
| CAS Number | 52207-84-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-])C)C |
Product Overview
7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate (CAS 52207-84-8), with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol. IUPAC: (7-nitroquinolin-8-yl) 2,3,5,6-tetramethylbenzoate.
Chemical Property Profile of 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate
Property Insights of 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate
The XLogP value of 4.59588 indicates that 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate. Following Lipinski's Rule of Five, 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate has 0 hydrogen bond donor(s) and 5 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 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate?
The CAS number of 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate is 52207-84-8.
What is the molecular formula of 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate?
The molecular formula of 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate is C20H18N2O4.
What is the molecular weight of 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate?
The molecular weight of 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate is 350.13 g/mol.
Where can I buy 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate?
You can request a quote for 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitro-8-quinolinyl 2,3,5,6-tetramethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.