Quinolin-8-yl 2-chloro-4-nitrobenzoate
TL;DR: Quinolin-8-yl 2-chloro-4-nitrobenzoate (CAS 324058-90-4) is a chemical compound with molecular formula C16H9ClN2O4 and molecular weight 328.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 2-chloro-4-nitrobenzoate
Also Known As: quinolin-8-yl 2-chloro-4-nitrobenzoate, 8-quinolyl 2-chloro-4-nitrobenzoate, BAS 00463736, 2-Chloro-4-nitro-benzoic acid quinolin-8-yl ester
| Molecular Formula | C16H9ClN2O4 |
|---|---|
| Molecular Weight | 328.03 g/mol |
| LogP | 4.0156 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0251 |
| Heavy Atoms | 23 |
| Complexity | 921.60223 |
Chemical Identifiers
| CAS Number | 324058-90-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N=CC=C2 |
Product Overview
Quinolin-8-yl 2-chloro-4-nitrobenzoate (CAS 324058-90-4), with molecular formula C16H9ClN2O4 and molecular weight 328.03 g/mol. IUPAC: quinolin-8-yl 2-chloro-4-nitrobenzoate.
Chemical Property Profile of Quinolin-8-yl 2-chloro-4-nitrobenzoate
Property Insights of Quinolin-8-yl 2-chloro-4-nitrobenzoate
The XLogP value of 4.0156 indicates that Quinolin-8-yl 2-chloro-4-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 2-chloro-4-nitrobenzoate. Following Lipinski's Rule of Five, Quinolin-8-yl 2-chloro-4-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 2-chloro-4-nitrobenzoate?
The CAS number of Quinolin-8-yl 2-chloro-4-nitrobenzoate is 324058-90-4.
What is the molecular formula of Quinolin-8-yl 2-chloro-4-nitrobenzoate?
The molecular formula of Quinolin-8-yl 2-chloro-4-nitrobenzoate is C16H9ClN2O4.
What is the molecular weight of Quinolin-8-yl 2-chloro-4-nitrobenzoate?
The molecular weight of Quinolin-8-yl 2-chloro-4-nitrobenzoate is 328.03 g/mol.
Where can I buy Quinolin-8-yl 2-chloro-4-nitrobenzoate?
You can request a quote for Quinolin-8-yl 2-chloro-4-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 2-chloro-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-8-yl 2-chloro-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.