4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate
TL;DR: 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate (CAS 355433-75-9) is a chemical compound with molecular formula C22H13BrN2O4 and molecular weight 448.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
Also Known As: 4-nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate, (4-nitrophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate, 4-Nitrophenyl 2-(4-bromophenyl)-4-quinolinecarboxylate
| Molecular Formula | C22H13BrN2O4 |
|---|---|
| Molecular Weight | 448.01 g/mol |
| LogP | 5.7917 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.00586 |
| Heavy Atoms | 29 |
| Complexity | 1222.0065 |
Chemical Identifiers
| CAS Number | 355433-75-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate (CAS 355433-75-9), with molecular formula C22H13BrN2O4 and molecular weight 448.01 g/mol. IUPAC: (4-nitrophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate.
Chemical Property Profile of 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate
Property Insights of 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate
The XLogP value of 5.7917 indicates that 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate 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 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate. Following Lipinski's Rule of Five, 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate has 0 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 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate?
The CAS number of 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate is 355433-75-9.
What is the molecular formula of 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate?
The molecular formula of 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate is C22H13BrN2O4.
What is the molecular weight of 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate?
The molecular weight of 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate is 448.01 g/mol.
Where can I buy 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate?
You can request a quote for 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 2-(4-bromophenyl)quinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.