2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate
TL;DR: 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate (CAS 309293-52-5) is a chemical compound with molecular formula C19H17ClN2O4 and molecular weight 372.09 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) 4-chloro-3-nitrobenzoate
Also Known As: BAS 01095005, BIM-0034648.P001, 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate, (2,2,4-trimethyl-1H-quinolin-6-yl) 4-chloro-3-nitrobenzoate, A2181/0091647
| Molecular Formula | C19H17ClN2O4 |
|---|---|
| Molecular Weight | 372.09 g/mol |
| LogP | 5.0748 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.08768 |
| Heavy Atoms | 26 |
| Complexity | 950.5505 |
Chemical Identifiers
| CAS Number | 309293-52-5 |
|---|---|
| SMILES | CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])(C)C |
Product Overview
2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate (CAS 309293-52-5), with molecular formula C19H17ClN2O4 and molecular weight 372.09 g/mol. IUPAC: (2,2,4-trimethyl-1H-quinolin-6-yl) 4-chloro-3-nitrobenzoate.
Chemical Property Profile of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate
Property Insights of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate
The XLogP value of 5.0748 indicates that 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate?
The CAS number of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate is 309293-52-5.
What is the molecular formula of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate?
The molecular formula of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate is C19H17ClN2O4.
What is the molecular weight of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate?
The molecular weight of 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate is 372.09 g/mol.
Where can I buy 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate?
You can request a quote for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-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-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.