(5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate
TL;DR: (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate (CAS 326885-91-0) is a chemical compound with molecular formula C17H11ClN2O4 and molecular weight 342.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate
Also Known As: (5-chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate, 5-chloroquinolin-8-yl 3-methyl-4-nitrobenzoate, 5-chloro-8-quinolyl 3-methyl-4-nitrobenzoate
| Molecular Formula | C17H11ClN2O4 |
|---|---|
| Molecular Weight | 342.04 g/mol |
| LogP | 4.32402 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.04074 |
| Heavy Atoms | 24 |
| Complexity | 971.9618 |
Chemical Identifiers
| CAS Number | 326885-91-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)[N+](=O)[O-] |
Product Overview
(5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate (CAS 326885-91-0), with molecular formula C17H11ClN2O4 and molecular weight 342.04 g/mol. IUPAC: (5-chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate.
Chemical Property Profile of (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate
Property Insights of (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate
The XLogP value of 4.32402 indicates that (5-Chloroquinolin-8-yl) 3-methyl-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 (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate. Following Lipinski's Rule of Five, (5-Chloroquinolin-8-yl) 3-methyl-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 (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate?
The CAS number of (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate is 326885-91-0.
What is the molecular formula of (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate?
The molecular formula of (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate is C17H11ClN2O4.
What is the molecular weight of (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate?
The molecular weight of (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate is 342.04 g/mol.
Where can I buy (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate?
You can request a quote for (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Chloroquinolin-8-yl) 3-methyl-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.