1-Methyl-3-nitropyrene
TL;DR: 1-Methyl-3-nitropyrene (CAS 86689-96-5) is a chemical compound with molecular formula C17H11NO2 and molecular weight 261.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-nitropyrene
Also Known As: 1-methyl-3-nitropyrene, Pyrene, 1-methyl-3-nitro-, 3-methyl-1-nitro-pyrene, cis-bis(4-methylbicyclo[2.2.2]oct-1-yl)diazene
| Molecular Formula | C17H11NO2 |
|---|---|
| Molecular Weight | 261.08 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.07898 |
| Heavy Atoms | 20 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 86689-96-5 |
|---|---|
| SMILES | CC1=CC(=C2C=CC3=CC=CC4=C3C2=C1C=C4)[N+](=O)[O-] |
| InChIKey | OYZNNNWFBAHPNH-UHFFFAOYSA-N |
Product Overview
1-Methyl-3-nitropyrene (CAS 86689-96-5), with molecular formula C17H11NO2 and molecular weight 261.08 g/mol. IUPAC: 1-methyl-3-nitropyrene.
Chemical Property Profile of 1-Methyl-3-nitropyrene
Property Insights of 1-Methyl-3-nitropyrene
The XLogP value of 5.2 indicates that 1-Methyl-3-nitropyrene 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-Methyl-3-nitropyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-nitropyrene 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-Methyl-3-nitropyrene?
The CAS number of 1-Methyl-3-nitropyrene is 86689-96-5.
What is the molecular formula of 1-Methyl-3-nitropyrene?
The molecular formula of 1-Methyl-3-nitropyrene is C17H11NO2.
What is the molecular weight of 1-Methyl-3-nitropyrene?
The molecular weight of 1-Methyl-3-nitropyrene is 261.08 g/mol.
Where can I buy 1-Methyl-3-nitropyrene?
You can request a quote for 1-Methyl-3-nitropyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-nitropyrene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-nitropyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.