1-Nitrocoronene
TL;DR: 1-Nitrocoronene (CAS 81316-84-9) is a chemical compound with molecular formula C24H11NO2 and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrocoronene
Also Known As: 1-Nitrocoronene, Mononitrocoronene, nitrocoronene, 1-nitro-coronen, CORONENE, 1-NITRO-
| Molecular Formula | C24H11NO2 |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 345.07898 |
| Heavy Atoms | 27 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 81316-84-9 |
|---|---|
| SMILES | C1=CC2=C3C4=C1C=CC5=C4C6=C7C3=C(C=C2)C=CC7=C(C=C6C=C5)[N+](=O)[O-] |
| InChIKey | MIKASNJPHHKWQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Nitrocoronene (CAS 81316-84-9), with molecular formula C24H11NO2 and molecular weight 345.08 g/mol. IUPAC: 1-nitrocoronene.
Chemical Property Profile of 1-Nitrocoronene
Property Insights of 1-Nitrocoronene
The XLogP value of 7.3 indicates that 1-Nitrocoronene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1-Nitrocoronene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitrocoronene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Nitrocoronene?
The CAS number of 1-Nitrocoronene is 81316-84-9.
What is the molecular formula of 1-Nitrocoronene?
The molecular formula of 1-Nitrocoronene is C24H11NO2.
What is the molecular weight of 1-Nitrocoronene?
The molecular weight of 1-Nitrocoronene is 345.08 g/mol.
Where can I buy 1-Nitrocoronene?
You can request a quote for 1-Nitrocoronene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitrocoronene?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitrocoronene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.