4-Methyl-1-nitronaphthalene
TL;DR: 4-Methyl-1-nitronaphthalene (CAS 880-93-3) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-nitronaphthalene
Also Known As: 1-Methyl-4-nitronaphthalene, 4-Methyl-1-nitronaphthalene, Naphthalene, 1-methyl-4-nitro-, Naphthalene,1-methyl-4-nitro-, 4-nitro-1-methylnaphthalene
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 880-93-3 |
|---|---|
| SMILES | CC1=CC=C(C2=CC=CC=C12)[N+](=O)[O-] |
| InChIKey | FRLVKAJKOYFHKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-1-nitronaphthalene (CAS 880-93-3), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 1-methyl-4-nitronaphthalene.
Chemical Property Profile of 4-Methyl-1-nitronaphthalene
Property Insights of 4-Methyl-1-nitronaphthalene
The XLogP value of 3.6 indicates that 4-Methyl-1-nitronaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Methyl-1-nitronaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-1-nitronaphthalene 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 4-Methyl-1-nitronaphthalene?
The CAS number of 4-Methyl-1-nitronaphthalene is 880-93-3.
What is the molecular formula of 4-Methyl-1-nitronaphthalene?
The molecular formula of 4-Methyl-1-nitronaphthalene is C11H9NO2.
What is the molecular weight of 4-Methyl-1-nitronaphthalene?
The molecular weight of 4-Methyl-1-nitronaphthalene is 187.06 g/mol.
Where can I buy 4-Methyl-1-nitronaphthalene?
You can request a quote for 4-Methyl-1-nitronaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-nitronaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-nitronaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.