5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate
TL;DR: 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate (CAS 457650-81-6) is a chemical compound with molecular formula C21H18ClN3O5 and molecular weight 427.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] 3-nitrobenzoate
Also Known As: 5-chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate, AB00685652-01, F1116-0074, [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] 3-nitrobenzoate, 5-chloro-7-[(morpholin-4-yl)methyl]quinolin-8-yl 3-nitrobenzoate
| Molecular Formula | C21H18ClN3O5 |
|---|---|
| Molecular Weight | 427.09 g/mol |
| LogP | 3.8478 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.0935 |
| Heavy Atoms | 30 |
| Complexity | 1114.9922 |
Chemical Identifiers
| CAS Number | 457650-81-6 |
|---|---|
| SMILES | C1COCCN1CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl |
Product Overview
5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate (CAS 457650-81-6), with molecular formula C21H18ClN3O5 and molecular weight 427.09 g/mol. IUPAC: [5-chloro-7-(morpholin-4-ylmethyl)quinolin-8-yl] 3-nitrobenzoate.
Chemical Property Profile of 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate
Property Insights of 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate
The XLogP value of 3.8478 indicates that 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate. Following Lipinski's Rule of Five, 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate has 0 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 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate?
The CAS number of 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate is 457650-81-6.
What is the molecular formula of 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate?
The molecular formula of 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate is C21H18ClN3O5.
What is the molecular weight of 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate?
The molecular weight of 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate is 427.09 g/mol.
Where can I buy 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate?
You can request a quote for 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-7-(morpholinomethyl)quinolin-8-yl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.