1-Acenaphthenone, 5-nitro-
TL;DR: 1-Acenaphthenone, 5-nitro- (CAS 5386-11-8) is a chemical compound with molecular formula C12H7NO3 and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2H-acenaphthylen-1-one
Also Known As: 5-Nitro-1-acenaphthenone, 1-Acenaphthenone, 5-nitro-, 1-Oxo-5-nitroacenaphthene, 5-Nitroacenaphthenone-1, 5-Nitro-1(2H)-acenaphthylenone
| Molecular Formula | C12H7NO3 |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.04259 |
| Heavy Atoms | 16 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 5386-11-8 |
|---|---|
| SMILES | C1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O |
| InChIKey | KSISVVBHVWCKOY-UHFFFAOYSA-N |
Product Overview
1-Acenaphthenone, 5-nitro- (CAS 5386-11-8), with molecular formula C12H7NO3 and molecular weight 213.04 g/mol. IUPAC: 5-nitro-2H-acenaphthylen-1-one.
Chemical Property Profile of 1-Acenaphthenone, 5-nitro-
Property Insights of 1-Acenaphthenone, 5-nitro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acenaphthenone, 5-nitro-. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acenaphthenone, 5-nitro-. Following Lipinski's Rule of Five, 1-Acenaphthenone, 5-nitro- 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-Acenaphthenone, 5-nitro-?
The CAS number of 1-Acenaphthenone, 5-nitro- is 5386-11-8.
What is the molecular formula of 1-Acenaphthenone, 5-nitro-?
The molecular formula of 1-Acenaphthenone, 5-nitro- is C12H7NO3.
What is the molecular weight of 1-Acenaphthenone, 5-nitro-?
The molecular weight of 1-Acenaphthenone, 5-nitro- is 213.04 g/mol.
Where can I buy 1-Acenaphthenone, 5-nitro-?
You can request a quote for 1-Acenaphthenone, 5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acenaphthenone, 5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1-Acenaphthenone, 5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.