邻硝基苯甲酸7-硝基-8-喹啉酯
TL;DR: 邻硝基苯甲酸7-硝基-8-喹啉酯 (CAS 29007-15-6) is a chemical compound with molecular formula C16H9N3O6 and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻硝基苯甲酸7-硝基-8-喹啉酯
(7-nitroquinolin-8-yl) 2-nitrobenzoate
Also Known As: 7-Nitro-8-quinolinol o-nitrobenzoate (ester), 8-Quinolinol, 7-nitro-, o-nitrobenzoate (ester), Benzoic acid, o-nitro-, 7-nitro-8-quinolyl ester, (7-nitroquinolin-8-yl) 2-nitrobenzoate, 7-NITROQUINOLIN-8-YL 2-NITROBENZOATE
| Molecular Formula | C16H9N3O6 |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.04913 |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 29007-15-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PPFWJTQUPRVVLQ-UHFFFAOYSA-N |
Product Overview
邻硝基苯甲酸7-硝基-8-喹啉酯 (CAS 29007-15-6), with molecular formula C16H9N3O6 and molecular weight 339.05 g/mol. IUPAC: (7-nitroquinolin-8-yl) 2-nitrobenzoate.
Chemical Property Profile of 邻硝基苯甲酸7-硝基-8-喹啉酯
Property Insights of 邻硝基苯甲酸7-硝基-8-喹啉酯
The XLogP value of 3.3 indicates that 邻硝基苯甲酸7-硝基-8-喹啉酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻硝基苯甲酸7-硝基-8-喹啉酯. Following Lipinski's Rule of Five, 邻硝基苯甲酸7-硝基-8-喹啉酯 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 邻硝基苯甲酸7-硝基-8-喹啉酯?
The CAS number of 邻硝基苯甲酸7-硝基-8-喹啉酯 is 29007-15-6.
What is the molecular formula of 邻硝基苯甲酸7-硝基-8-喹啉酯?
The molecular formula of 邻硝基苯甲酸7-硝基-8-喹啉酯 is C16H9N3O6.
What is the molecular weight of 邻硝基苯甲酸7-硝基-8-喹啉酯?
The molecular weight of 邻硝基苯甲酸7-硝基-8-喹啉酯 is 339.05 g/mol.
Where can I buy 邻硝基苯甲酸7-硝基-8-喹啉酯?
You can request a quote for 邻硝基苯甲酸7-硝基-8-喹啉酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻硝基苯甲酸7-硝基-8-喹啉酯?
Yes, KEHONG BIO provides custom synthesis services for 邻硝基苯甲酸7-硝基-8-喹啉酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.