间丁氧基苯甲酸7-硝基-8-喹啉酯
TL;DR: 间丁氧基苯甲酸7-硝基-8-喹啉酯 (CAS 29002-45-7) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间丁氧基苯甲酸7-硝基-8-喹啉酯
(7-nitroquinolin-8-yl) 3-butoxybenzoate
Also Known As: 8-Quinolinol, 7-nitro-, m-butoxybenzoate, 7-nitroquinolin-8-yl 3-butoxybenzoate, m-Butoxybenzoic acid 7-nitro-8-quinolyl ester, 7-Nitro-8-quinolyl=m-butoxybenzoate, BENZOIC ACID, m-BUTOXY-, 7-NITRO-8-QUINOLYL ESTER
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 94.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 29002-45-7 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-] |
| InChIKey | GFJOJUDZDBODFY-UHFFFAOYSA-N |
Product Overview
间丁氧基苯甲酸7-硝基-8-喹啉酯 (CAS 29002-45-7), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: (7-nitroquinolin-8-yl) 3-butoxybenzoate.
Chemical Property Profile of 间丁氧基苯甲酸7-硝基-8-喹啉酯
Property Insights of 间丁氧基苯甲酸7-硝基-8-喹啉酯
The XLogP value of 4.7 indicates that 间丁氧基苯甲酸7-硝基-8-喹啉酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 间丁氧基苯甲酸7-硝基-8-喹啉酯. Following Lipinski's Rule of Five, 间丁氧基苯甲酸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 间丁氧基苯甲酸7-硝基-8-喹啉酯?
The CAS number of 间丁氧基苯甲酸7-硝基-8-喹啉酯 is 29002-45-7.
What is the molecular formula of 间丁氧基苯甲酸7-硝基-8-喹啉酯?
The molecular formula of 间丁氧基苯甲酸7-硝基-8-喹啉酯 is C20H18N2O5.
What is the molecular weight of 间丁氧基苯甲酸7-硝基-8-喹啉酯?
The molecular weight of 间丁氧基苯甲酸7-硝基-8-喹啉酯 is 366.12 g/mol.
Where can I buy 间丁氧基苯甲酸7-硝基-8-喹啉酯?
You can request a quote for 间丁氧基苯甲酸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 间丁氧基苯甲酸7-硝基-8-喹啉酯?
Yes, KEHONG BIO provides custom synthesis services for 间丁氧基苯甲酸7-硝基-8-喹啉酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.