Acenaphthene, monopicrate
TL;DR: Acenaphthene, monopicrate (CAS 5892-42-2) is a chemical compound with molecular formula C18H13N3O7 and molecular weight 383.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dihydroacenaphthylene;2,4,6-trinitrophenol
Also Known As: Acenaphthene, monopicrate, Acenaphthene,monopicrate, acenaphthene compound with picric acid(1:1), Acenaphthene compound with picric acid (1:1), Acenaphthene compound with picric acid (1_1)
| Molecular Formula | C18H13N3O7 |
|---|---|
| Molecular Weight | 383.08 g/mol |
| LogP | 4.0552 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 383.07535 |
| Heavy Atoms | 28 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 5892-42-2 |
|---|---|
| SMILES | C1CC2=CC=CC3=C2C1=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ISHOGBQUWROIFC-UHFFFAOYSA-N |
Product Overview
Acenaphthene, monopicrate (CAS 5892-42-2), with molecular formula C18H13N3O7 and molecular weight 383.08 g/mol. IUPAC: 1,2-dihydroacenaphthylene;2,4,6-trinitrophenol.
Chemical Property Profile of Acenaphthene, monopicrate
Property Insights of Acenaphthene, monopicrate
The XLogP value of 4.0552 indicates that Acenaphthene, monopicrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Acenaphthene, monopicrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acenaphthene, monopicrate has 1 hydrogen bond donor(s) and 7 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 Acenaphthene, monopicrate?
The CAS number of Acenaphthene, monopicrate is 5892-42-2.
What is the molecular formula of Acenaphthene, monopicrate?
The molecular formula of Acenaphthene, monopicrate is C18H13N3O7.
What is the molecular weight of Acenaphthene, monopicrate?
The molecular weight of Acenaphthene, monopicrate is 383.08 g/mol.
Where can I buy Acenaphthene, monopicrate?
You can request a quote for Acenaphthene, monopicrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acenaphthene, monopicrate?
Yes, KEHONG BIO provides custom synthesis services for Acenaphthene, monopicrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.