4-Nitro-1,2-dihydro-5-acenaphthylenol
TL;DR: 4-Nitro-1,2-dihydro-5-acenaphthylenol (CAS 84998-96-9) is a chemical compound with molecular formula C12H9NO3 and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1,2-dihydroacenaphthylen-5-ol
Also Known As: 4-nitroacenaphthen-5-ol, 4-nitro-1,2-dihydro-5-acenaphthylenol, 4-nitro-1,2-dihydroacenaphthylen-5-ol, AQ-344/43099948
| Molecular Formula | C12H9NO3 |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.05824 |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 84998-96-9 |
|---|---|
| SMILES | C1CC2=CC(=C(C3=CC=CC1=C23)O)[N+](=O)[O-] |
| InChIKey | SMFCLZNIYUHNNM-UHFFFAOYSA-N |
Product Overview
4-Nitro-1,2-dihydro-5-acenaphthylenol (CAS 84998-96-9), with molecular formula C12H9NO3 and molecular weight 215.06 g/mol. IUPAC: 4-nitro-1,2-dihydroacenaphthylen-5-ol.
Chemical Property Profile of 4-Nitro-1,2-dihydro-5-acenaphthylenol
Property Insights of 4-Nitro-1,2-dihydro-5-acenaphthylenol
The XLogP value of 3.5 indicates that 4-Nitro-1,2-dihydro-5-acenaphthylenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-1,2-dihydro-5-acenaphthylenol. Following Lipinski's Rule of Five, 4-Nitro-1,2-dihydro-5-acenaphthylenol 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 4-Nitro-1,2-dihydro-5-acenaphthylenol?
The CAS number of 4-Nitro-1,2-dihydro-5-acenaphthylenol is 84998-96-9.
What is the molecular formula of 4-Nitro-1,2-dihydro-5-acenaphthylenol?
The molecular formula of 4-Nitro-1,2-dihydro-5-acenaphthylenol is C12H9NO3.
What is the molecular weight of 4-Nitro-1,2-dihydro-5-acenaphthylenol?
The molecular weight of 4-Nitro-1,2-dihydro-5-acenaphthylenol is 215.06 g/mol.
Where can I buy 4-Nitro-1,2-dihydro-5-acenaphthylenol?
You can request a quote for 4-Nitro-1,2-dihydro-5-acenaphthylenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-1,2-dihydro-5-acenaphthylenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1,2-dihydro-5-acenaphthylenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.