邻溴苯甲酸7-硝基-8-喹啉酯
TL;DR: 邻溴苯甲酸7-硝基-8-喹啉酯 (CAS 29007-07-6) is a chemical compound with molecular formula C16H9BrN2O4 and molecular weight 371.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻溴苯甲酸7-硝基-8-喹啉酯
(7-nitroquinolin-8-yl) 2-bromobenzoate
Also Known As: 7-nitroquinolin-8-yl 2-bromobenzoate, 8-Quinolinol, 7-nitro-, o-bromobenzoate, 7-Nitro-8-quinolyl=o-bromobenzoate, o-Bromobenzoic acid 7-nitro-8-quinolyl ester, (7-nitroquinolin-8-yl) 2-bromobenzoate
| Molecular Formula | C16H9BrN2O4 |
|---|---|
| Molecular Weight | 371.97 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 | 371.97458 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 29007-07-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-])Br |
| InChIKey | CXJLHPOTKZQEJD-UHFFFAOYSA-N |
Product Overview
邻溴苯甲酸7-硝基-8-喹啉酯 (CAS 29007-07-6), with molecular formula C16H9BrN2O4 and molecular weight 371.97 g/mol. IUPAC: (7-nitroquinolin-8-yl) 2-bromobenzoate.
Chemical Property Profile of 邻溴苯甲酸7-硝基-8-喹啉酯
Property Insights of 邻溴苯甲酸7-硝基-8-喹啉酯
The XLogP value of 4.1 indicates that 邻溴苯甲酸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 邻溴苯甲酸7-硝基-8-喹啉酯. Following Lipinski's Rule of Five, 邻溴苯甲酸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 邻溴苯甲酸7-硝基-8-喹啉酯?
The CAS number of 邻溴苯甲酸7-硝基-8-喹啉酯 is 29007-07-6.
What is the molecular formula of 邻溴苯甲酸7-硝基-8-喹啉酯?
The molecular formula of 邻溴苯甲酸7-硝基-8-喹啉酯 is C16H9BrN2O4.
What is the molecular weight of 邻溴苯甲酸7-硝基-8-喹啉酯?
The molecular weight of 邻溴苯甲酸7-硝基-8-喹啉酯 is 371.97 g/mol.
Where can I buy 邻溴苯甲酸7-硝基-8-喹啉酯?
You can request a quote for 邻溴苯甲酸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 邻溴苯甲酸7-硝基-8-喹啉酯?
Yes, KEHONG BIO provides custom synthesis services for 邻溴苯甲酸7-硝基-8-喹啉酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.