8-硝基-1-芘酚乙酸酯
TL;DR: 8-硝基-1-芘酚乙酸酯 (CAS 20805-90-7) is a chemical compound with molecular formula C18H11NO4 and molecular weight 305.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-硝基-1-芘酚乙酸酯
(8-nitropyren-1-yl) acetate
Also Known As: 8-nitropyren-1-yl acetate, 1-nitro-8-acetoxypyrene, 8-Nitro-1-pyrenol acetate (ester), 1-Pyrenol, 8-nitro-, acetate (ester), 6-Nitropyren-3-ol acetate
| Molecular Formula | C18H11NO4 |
|---|---|
| Molecular Weight | 305.07 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.06882 |
| Heavy Atoms | 23 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 20805-90-7 |
|---|---|
| SMILES | CC(=O)OC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)[N+](=O)[O-] |
| InChIKey | NLUVPXWBYOREHQ-UHFFFAOYSA-N |
Product Overview
8-硝基-1-芘酚乙酸酯 (CAS 20805-90-7), with molecular formula C18H11NO4 and molecular weight 305.07 g/mol. IUPAC: (8-nitropyren-1-yl) acetate.
Chemical Property Profile of 8-硝基-1-芘酚乙酸酯
Property Insights of 8-硝基-1-芘酚乙酸酯
The XLogP value of 4.6 indicates that 8-硝基-1-芘酚乙酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-硝基-1-芘酚乙酸酯. Following Lipinski's Rule of Five, 8-硝基-1-芘酚乙酸酯 has 0 hydrogen bond donor(s) and 4 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 8-硝基-1-芘酚乙酸酯?
The CAS number of 8-硝基-1-芘酚乙酸酯 is 20805-90-7.
What is the molecular formula of 8-硝基-1-芘酚乙酸酯?
The molecular formula of 8-硝基-1-芘酚乙酸酯 is C18H11NO4.
What is the molecular weight of 8-硝基-1-芘酚乙酸酯?
The molecular weight of 8-硝基-1-芘酚乙酸酯 is 305.07 g/mol.
Where can I buy 8-硝基-1-芘酚乙酸酯?
You can request a quote for 8-硝基-1-芘酚乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-硝基-1-芘酚乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 8-硝基-1-芘酚乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.