Quinolin-8-yl 2-methyl-3-nitrobenzoate
TL;DR: Quinolin-8-yl 2-methyl-3-nitrobenzoate (CAS 313267-47-9) is a chemical compound with molecular formula C17H12N2O4 and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinolin-8-yl 2-methyl-3-nitrobenzoate
Also Known As: quinolin-8-yl 2-methyl-3-nitrobenzoate, 8-quinolyl 6-nitro-2-toluate, 8-quinolyl 2-methyl-3-nitrobenzoate, BAS 00463937, 8-quinolinyl 3-nitro-2-methylbenzoate
| Molecular Formula | C17H12N2O4 |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.0797 |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 313267-47-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC=CC3=C2N=CC=C3 |
| InChIKey | CUSNXHYJUYQOIV-UHFFFAOYSA-N |
Product Overview
Quinolin-8-yl 2-methyl-3-nitrobenzoate (CAS 313267-47-9), with molecular formula C17H12N2O4 and molecular weight 308.08 g/mol. IUPAC: quinolin-8-yl 2-methyl-3-nitrobenzoate.
Chemical Property Profile of Quinolin-8-yl 2-methyl-3-nitrobenzoate
Property Insights of Quinolin-8-yl 2-methyl-3-nitrobenzoate
The XLogP value of 3.9 indicates that Quinolin-8-yl 2-methyl-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolin-8-yl 2-methyl-3-nitrobenzoate. Following Lipinski's Rule of Five, Quinolin-8-yl 2-methyl-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 2-methyl-3-nitrobenzoate?
The CAS number of Quinolin-8-yl 2-methyl-3-nitrobenzoate is 313267-47-9.
What is the molecular formula of Quinolin-8-yl 2-methyl-3-nitrobenzoate?
The molecular formula of Quinolin-8-yl 2-methyl-3-nitrobenzoate is C17H12N2O4.
What is the molecular weight of Quinolin-8-yl 2-methyl-3-nitrobenzoate?
The molecular weight of Quinolin-8-yl 2-methyl-3-nitrobenzoate is 308.08 g/mol.
Where can I buy Quinolin-8-yl 2-methyl-3-nitrobenzoate?
You can request a quote for Quinolin-8-yl 2-methyl-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 2-methyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Quinolin-8-yl 2-methyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.