1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone
TL;DR: 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone (CAS 500587-66-6) is a chemical compound with molecular formula C20H15NO3 and molecular weight 317.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone
Also Known As: 6-Nitro-5-phenacetyl-acenaphthen, 1-(6-nitro-acenaphthen-5-yl)-2-phenyl-ethanone, 1-(6-nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone
| Molecular Formula | C20H15NO3 |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.1052 |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 500587-66-6 |
|---|---|
| SMILES | C1CC2=CC=C(C3=C(C=CC1=C23)C(=O)CC4=CC=CC=C4)[N+](=O)[O-] |
| InChIKey | XWZNEAZCKHDSST-UHFFFAOYSA-N |
Product Overview
1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone (CAS 500587-66-6), with molecular formula C20H15NO3 and molecular weight 317.11 g/mol. IUPAC: 1-(6-nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone.
Chemical Property Profile of 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone
Property Insights of 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone
The XLogP value of 4.6 indicates that 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone. Following Lipinski's Rule of Five, 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone has 0 hydrogen bond donor(s) and 3 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 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone?
The CAS number of 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone is 500587-66-6.
What is the molecular formula of 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone?
The molecular formula of 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone is C20H15NO3.
What is the molecular weight of 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone?
The molecular weight of 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone is 317.11 g/mol.
Where can I buy 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone?
You can request a quote for 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Nitro-1,2-dihydroacenaphthylen-5-yl)-2-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.