(2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate
TL;DR: (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate (CAS 332143-97-2) is a chemical compound with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate
Also Known As: BAS 01173513, (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate, 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 2-nitrobenzoate, 2,2,4-trimethyl-6-1,2-dihydroquinolyl 2-nitrobenzoate, 2,2,4-TRIMETHYL-1,2-DIHYDRO-6-QUINOLINYL 2-NITROBENZOATE
| Molecular Formula | C19H18N2O4 |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.12665 |
| Heavy Atoms | 25 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 332143-97-2 |
|---|---|
| SMILES | CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3[N+](=O)[O-])(C)C |
| InChIKey | LPFNHAAEUSZQSM-UHFFFAOYSA-N |
Product Overview
(2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate (CAS 332143-97-2), with molecular formula C19H18N2O4 and molecular weight 338.13 g/mol. IUPAC: (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate.
Chemical Property Profile of (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate
Property Insights of (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate
The XLogP value of 4.0 indicates that (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate. Following Lipinski's Rule of Five, (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate has 1 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 (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate?
The CAS number of (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate is 332143-97-2.
What is the molecular formula of (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate?
The molecular formula of (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate is C19H18N2O4.
What is the molecular weight of (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate?
The molecular weight of (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate is 338.13 g/mol.
Where can I buy (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate?
You can request a quote for (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,2,4-trimethyl-1H-quinolin-6-yl) 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.