5-Amino-4-nitroacenaphthene
TL;DR: 5-Amino-4-nitroacenaphthene (CAS 4657-95-8) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1,2-dihydroacenaphthylen-5-amine
Also Known As: 5-Amino-4-nitroacenaphthene, 4-nitro-1,2-dihydroacenaphthylen-5-amine, 4-nitro-acenaphthen-5-ylamine, 5-Acenaphthenamine, 4-nitro-, NCI60_003732
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 4657-95-8 |
|---|---|
| SMILES | C1CC2=CC(=C(C3=CC=CC1=C23)N)[N+](=O)[O-] |
| InChIKey | VWJYDQVCIUABSV-UHFFFAOYSA-N |
Product Overview
5-Amino-4-nitroacenaphthene (CAS 4657-95-8), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: 4-nitro-1,2-dihydroacenaphthylen-5-amine.
Chemical Property Profile of 5-Amino-4-nitroacenaphthene
Property Insights of 5-Amino-4-nitroacenaphthene
The XLogP value of 3.2 indicates that 5-Amino-4-nitroacenaphthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-4-nitroacenaphthene. Following Lipinski's Rule of Five, 5-Amino-4-nitroacenaphthene has 1 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 5-Amino-4-nitroacenaphthene?
The CAS number of 5-Amino-4-nitroacenaphthene is 4657-95-8.
What is the molecular formula of 5-Amino-4-nitroacenaphthene?
The molecular formula of 5-Amino-4-nitroacenaphthene is C12H10N2O2.
What is the molecular weight of 5-Amino-4-nitroacenaphthene?
The molecular weight of 5-Amino-4-nitroacenaphthene is 214.07 g/mol.
Where can I buy 5-Amino-4-nitroacenaphthene?
You can request a quote for 5-Amino-4-nitroacenaphthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-4-nitroacenaphthene?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-4-nitroacenaphthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.