间茴香酸7-硝基-8-喹啉酯
TL;DR: 间茴香酸7-硝基-8-喹啉酯 (CAS 29007-17-8) is a chemical compound with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间茴香酸7-硝基-8-喹啉酯
(7-nitroquinolin-8-yl) 3-methoxybenzoate
Also Known As: 7-Nitro-8-quinolyl m-anisate, m-ANISIC ACID, 7-NITRO-8-QUINOLYL ESTER, 8-Quinolinol, 7-nitro-, m-methoxybenzoate, (7-nitroquinolin-8-yl) 3-methoxybenzoate, (7-Nitroquinolin-8-yl)3-methoxybenzoate
| Molecular Formula | C17H12N2O5 |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 94.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.07462 |
| Heavy Atoms | 24 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 29007-17-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-] |
| InChIKey | BTNGQVBBLQCATH-UHFFFAOYSA-N |
Product Overview
间茴香酸7-硝基-8-喹啉酯 (CAS 29007-17-8), with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol. IUPAC: (7-nitroquinolin-8-yl) 3-methoxybenzoate.
Chemical Property Profile of 间茴香酸7-硝基-8-喹啉酯
Property Insights of 间茴香酸7-硝基-8-喹啉酯
The XLogP value of 3.4 indicates that 间茴香酸7-硝基-8-喹啉酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 间茴香酸7-硝基-8-喹啉酯. Following Lipinski's Rule of Five, 间茴香酸7-硝基-8-喹啉酯 has 0 hydrogen bond donor(s) and 6 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 间茴香酸7-硝基-8-喹啉酯?
The CAS number of 间茴香酸7-硝基-8-喹啉酯 is 29007-17-8.
What is the molecular formula of 间茴香酸7-硝基-8-喹啉酯?
The molecular formula of 间茴香酸7-硝基-8-喹啉酯 is C17H12N2O5.
What is the molecular weight of 间茴香酸7-硝基-8-喹啉酯?
The molecular weight of 间茴香酸7-硝基-8-喹啉酯 is 324.07 g/mol.
Where can I buy 间茴香酸7-硝基-8-喹啉酯?
You can request a quote for 间茴香酸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 间茴香酸7-硝基-8-喹啉酯?
Yes, KEHONG BIO provides custom synthesis services for 间茴香酸7-硝基-8-喹啉酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.