Quinolin-8-yl 4-bromo-3-nitrobenzoate
TL;DR: Quinolin-8-yl 4-bromo-3-nitrobenzoate (CAS 301208-13-9) is a chemical compound with molecular formula C16H9BrN2O4 and molecular weight 371.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 4-bromo-3-nitrobenzoate
Also Known As: quinolin-8-yl 4-bromo-3-nitrobenzoate, 8-quinolyl 4-bromo-3-nitrobenzoate, BAS 00119721, 4-Bromo-3-nitro-benzoic acid quinolin-8-yl ester
| Molecular Formula | C16H9BrN2O4 |
|---|---|
| Molecular Weight | 371.97 g/mol |
| LogP | 4.1247 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.97458 |
| Heavy Atoms | 23 |
| Complexity | 921.60223 |
Chemical Identifiers
| CAS Number | 301208-13-9 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-])N=CC=C2 |
Product Overview
Quinolin-8-yl 4-bromo-3-nitrobenzoate (CAS 301208-13-9), with molecular formula C16H9BrN2O4 and molecular weight 371.97 g/mol. IUPAC: quinolin-8-yl 4-bromo-3-nitrobenzoate.
Chemical Property Profile of Quinolin-8-yl 4-bromo-3-nitrobenzoate
Property Insights of Quinolin-8-yl 4-bromo-3-nitrobenzoate
The XLogP value of 4.1247 indicates that Quinolin-8-yl 4-bromo-3-nitrobenzoate 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 Quinolin-8-yl 4-bromo-3-nitrobenzoate. Following Lipinski's Rule of Five, Quinolin-8-yl 4-bromo-3-nitrobenzoate 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 Quinolin-8-yl 4-bromo-3-nitrobenzoate?
The CAS number of Quinolin-8-yl 4-bromo-3-nitrobenzoate is 301208-13-9.
What is the molecular formula of Quinolin-8-yl 4-bromo-3-nitrobenzoate?
The molecular formula of Quinolin-8-yl 4-bromo-3-nitrobenzoate is C16H9BrN2O4.
What is the molecular weight of Quinolin-8-yl 4-bromo-3-nitrobenzoate?
The molecular weight of Quinolin-8-yl 4-bromo-3-nitrobenzoate is 371.97 g/mol.
Where can I buy Quinolin-8-yl 4-bromo-3-nitrobenzoate?
You can request a quote for Quinolin-8-yl 4-bromo-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolin-8-yl 4-bromo-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-8-yl 4-bromo-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.