2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate
TL;DR: 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate (CAS 304870-87-9) is a chemical compound with molecular formula C19H17N3O6 and molecular weight 383.11 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) 3,5-dinitrobenzoate
Also Known As: BAS 00619851, 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate, (2,2,4-trimethyl-1H-quinolin-6-yl) 3,5-dinitrobenzoate, 2,2,4-trimethyl-6-1,2-dihydroquinolyl 3,5-dinitrobenzoate, 2,2,4-trimethyl-1,2-dihydro-6-quinolinyl 3,5-bisnitrobenzoate
| Molecular Formula | C19H17N3O6 |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 4.3296 |
| Topological Polar Surface Area | 124.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.11172 |
| Heavy Atoms | 28 |
| Complexity | 1009.70966 |
Chemical Identifiers
| CAS Number | 304870-87-9 |
|---|---|
| SMILES | CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])(C)C |
Product Overview
2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate (CAS 304870-87-9), with molecular formula C19H17N3O6 and molecular weight 383.11 g/mol. IUPAC: (2,2,4-trimethyl-1H-quinolin-6-yl) 3,5-dinitrobenzoate.
Chemical Property Profile of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate
Property Insights of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate
The XLogP value of 4.3296 indicates that 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate has 1 hydrogen bond donor(s) and 7 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-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate?
The CAS number of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate is 304870-87-9.
What is the molecular formula of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate?
The molecular formula of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate is C19H17N3O6.
What is the molecular weight of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate?
The molecular weight of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate is 383.11 g/mol.
Where can I buy 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate?
You can request a quote for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate 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-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.