3-Nitroanisole
TL;DR: 3-Nitroanisole (CAS 555-03-3) is a chemical compound with molecular formula C7H7NO3 and molecular weight 153.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-3-nitrobenzene
Also Known As: 3-Nitroanisole, 1-Methoxy-3-nitrobenzene, M-NITROANISOLE, m-Methoxynitrobenzene, 3-Methoxynitrobenzene
| Molecular Formula | C7H7NO3 |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.04259 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 555-03-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | WGYFINWERLNPHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitroanisole (CAS 555-03-3), with molecular formula C7H7NO3 and molecular weight 153.04 g/mol. IUPAC: 1-methoxy-3-nitrobenzene.
Chemical Property Profile of 3-Nitroanisole
Property Insights of 3-Nitroanisole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitroanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitroanisole has 0 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 3-Nitroanisole?
The CAS number of 3-Nitroanisole is 555-03-3.
What is the molecular formula of 3-Nitroanisole?
The molecular formula of 3-Nitroanisole is C7H7NO3.
What is the molecular weight of 3-Nitroanisole?
The molecular weight of 3-Nitroanisole is 153.04 g/mol.
Where can I buy 3-Nitroanisole?
You can request a quote for 3-Nitroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitroanisole?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.