p-Toluic acid, 7-nitro-8-quinolyl ester
TL;DR: p-Toluic acid, 7-nitro-8-quinolyl ester (CAS 29082-32-4) 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.
(7-nitroquinolin-8-yl) 4-methylbenzoate
Also Known As: 7-Nitro-8-quinolyl p-toluate, 8-Quinolinol, 7-nitro-, p-toluate, p-Toluic acid, 7-nitro-8-quinolyl ester, Benzoic acid, 4-methyl-, 7-nitro-8-quinolyl ester, p-Toluic acid 7-nitro-8-quinolyl ester
| Molecular Formula | C17H12N2O4 |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 3.8 |
| 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 | 442.0 |
Chemical Identifiers
| CAS Number | 29082-32-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-] |
| InChIKey | ABNIBTDLFQIFCB-UHFFFAOYSA-N |
Product Overview
p-Toluic acid, 7-nitro-8-quinolyl ester (CAS 29082-32-4), with molecular formula C17H12N2O4 and molecular weight 308.08 g/mol. IUPAC: (7-nitroquinolin-8-yl) 4-methylbenzoate.
Chemical Property Profile of p-Toluic acid, 7-nitro-8-quinolyl ester
Property Insights of p-Toluic acid, 7-nitro-8-quinolyl ester
The XLogP value of 3.8 indicates that p-Toluic acid, 7-nitro-8-quinolyl ester 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 p-Toluic acid, 7-nitro-8-quinolyl ester. Following Lipinski's Rule of Five, p-Toluic acid, 7-nitro-8-quinolyl ester 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 p-Toluic acid, 7-nitro-8-quinolyl ester?
The CAS number of p-Toluic acid, 7-nitro-8-quinolyl ester is 29082-32-4.
What is the molecular formula of p-Toluic acid, 7-nitro-8-quinolyl ester?
The molecular formula of p-Toluic acid, 7-nitro-8-quinolyl ester is C17H12N2O4.
What is the molecular weight of p-Toluic acid, 7-nitro-8-quinolyl ester?
The molecular weight of p-Toluic acid, 7-nitro-8-quinolyl ester is 308.08 g/mol.
Where can I buy p-Toluic acid, 7-nitro-8-quinolyl ester?
You can request a quote for p-Toluic acid, 7-nitro-8-quinolyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluic acid, 7-nitro-8-quinolyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Toluic acid, 7-nitro-8-quinolyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.