间氯苯甲酸7-硝基-8-喹啉酯
TL;DR: 间氯苯甲酸7-硝基-8-喹啉酯 (CAS 29007-03-2) is a chemical compound with molecular formula C16H9ClN2O4 and molecular weight 328.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间氯苯甲酸7-硝基-8-喹啉酯
(7-nitroquinolin-8-yl) 3-chlorobenzoate
Also Known As: 7-nitroquinolin-8-yl 3-chlorobenzoate, 8-Quinolinol, 7-nitro-, m-chlorobenzoate, 7-Nitro-8-quinolyl=m-chlorobenzoate, m-Chlorobenzoic acid 7-nitro-8-quinolyl ester, (7-nitroquinolin-8-yl) 3-chlorobenzoate
| Molecular Formula | C16H9ClN2O4 |
|---|---|
| Molecular Weight | 328.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0251 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 29007-03-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-] |
| InChIKey | ORHFNGNATMJFER-UHFFFAOYSA-N |
Product Overview
间氯苯甲酸7-硝基-8-喹啉酯 (CAS 29007-03-2), with molecular formula C16H9ClN2O4 and molecular weight 328.03 g/mol. IUPAC: (7-nitroquinolin-8-yl) 3-chlorobenzoate.
Chemical Property Profile of 间氯苯甲酸7-硝基-8-喹啉酯
Property Insights of 间氯苯甲酸7-硝基-8-喹啉酯
The XLogP value of 4.1 indicates that 间氯苯甲酸7-硝基-8-喹啉酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 间氯苯甲酸7-硝基-8-喹啉酯. Following Lipinski's Rule of Five, 间氯苯甲酸7-硝基-8-喹啉酯 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 间氯苯甲酸7-硝基-8-喹啉酯?
The CAS number of 间氯苯甲酸7-硝基-8-喹啉酯 is 29007-03-2.
What is the molecular formula of 间氯苯甲酸7-硝基-8-喹啉酯?
The molecular formula of 间氯苯甲酸7-硝基-8-喹啉酯 is C16H9ClN2O4.
What is the molecular weight of 间氯苯甲酸7-硝基-8-喹啉酯?
The molecular weight of 间氯苯甲酸7-硝基-8-喹啉酯 is 328.03 g/mol.
Where can I buy 间氯苯甲酸7-硝基-8-喹啉酯?
You can request a quote for 间氯苯甲酸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 间氯苯甲酸7-硝基-8-喹啉酯?
Yes, KEHONG BIO provides custom synthesis services for 间氯苯甲酸7-硝基-8-喹啉酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.