Anthracene, nitro-
TL;DR: Anthracene, nitro- (CAS 54738-93-1) is a chemical compound with molecular formula C14H9NO2 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroanthracene
Also Known As: 1-nitroanthracene, Anthracene, nitro-, NITROANTHRACENE, Anthracene,nitro, 4-Nitroanthracene
| Molecular Formula | C14H9NO2 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.06332 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 54738-93-1 |
|---|---|
| SMILES | C1=CC=C2C=C3C(=CC2=C1)C=CC=C3[N+](=O)[O-] |
| InChIKey | JBDYKGMNMDIHFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Anthracene, nitro- (CAS 54738-93-1), with molecular formula C14H9NO2 and molecular weight 223.06 g/mol. IUPAC: 1-nitroanthracene.
Chemical Property Profile of Anthracene, nitro-
Property Insights of Anthracene, nitro-
The XLogP value of 4.4 indicates that Anthracene, nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Anthracene, nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anthracene, nitro- has 0 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 Anthracene, nitro-?
The CAS number of Anthracene, nitro- is 54738-93-1.
What is the molecular formula of Anthracene, nitro-?
The molecular formula of Anthracene, nitro- is C14H9NO2.
What is the molecular weight of Anthracene, nitro-?
The molecular weight of Anthracene, nitro- is 223.06 g/mol.
Where can I buy Anthracene, nitro-?
You can request a quote for Anthracene, nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthracene, nitro-?
Yes, KEHONG BIO provides custom synthesis services for Anthracene, nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.