1-Acenaphthenone, 4-nitro-
TL;DR: 1-Acenaphthenone, 4-nitro- (CAS 81851-74-3) is a chemical compound with molecular formula C12H9NO and molecular weight 183.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2H-acenaphthylen-1-one
Also Known As: 1-Acenaphthenone, 4-nitro-, 1-Acenaphthenone,4-nitro, 6-amino-2H-acenaphthylen-1-one, 6-Aminoacenaphthylen-1(2H)-one, 1(2H)-Acenaphthylenone,6-amino-
| Molecular Formula | C12H9NO |
|---|---|
| Molecular Weight | 183.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.06842 |
| Heavy Atoms | 14 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 81851-74-3 |
|---|---|
| SMILES | C1C2=C3C(=CC=C2)C(=CC=C3C1=O)N |
| InChIKey | JKLZBTAJIIKMKP-UHFFFAOYSA-N |
Product Overview
1-Acenaphthenone, 4-nitro- (CAS 81851-74-3), with molecular formula C12H9NO and molecular weight 183.07 g/mol. IUPAC: 6-amino-2H-acenaphthylen-1-one.
Chemical Property Profile of 1-Acenaphthenone, 4-nitro-
Property Insights of 1-Acenaphthenone, 4-nitro-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acenaphthenone, 4-nitro-. With a topological polar surface area (TPSA) of 43.1 Ų, 1-Acenaphthenone, 4-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acenaphthenone, 4-nitro- has 1 hydrogen bond donor(s) and 2 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, 4-nitro-?
The CAS number of 1-Acenaphthenone, 4-nitro- is 81851-74-3.
What is the molecular formula of 1-Acenaphthenone, 4-nitro-?
The molecular formula of 1-Acenaphthenone, 4-nitro- is C12H9NO.
What is the molecular weight of 1-Acenaphthenone, 4-nitro-?
The molecular weight of 1-Acenaphthenone, 4-nitro- is 183.07 g/mol.
Where can I buy 1-Acenaphthenone, 4-nitro-?
You can request a quote for 1-Acenaphthenone, 4-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, 4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1-Acenaphthenone, 4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.