3-Nitrochrysene
TL;DR: 3-Nitrochrysene (CAS 95034-54-1) is a chemical compound with molecular formula C18H11NO2 and molecular weight 273.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrochrysene
Also Known As: 3-Nitrochrysene
| Molecular Formula | C18H11NO2 |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 273.07898 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 95034-54-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=C(C=C4)[N+](=O)[O-] |
| InChIKey | FBDMBZUBJMTFFS-UHFFFAOYSA-N |
Product Overview
3-Nitrochrysene (CAS 95034-54-1), with molecular formula C18H11NO2 and molecular weight 273.08 g/mol. IUPAC: 3-nitrochrysene.
Chemical Property Profile of 3-Nitrochrysene
Property Insights of 3-Nitrochrysene
The XLogP value of 5.8 indicates that 3-Nitrochrysene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 3-Nitrochrysene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitrochrysene 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 3-Nitrochrysene?
The CAS number of 3-Nitrochrysene is 95034-54-1.
What is the molecular formula of 3-Nitrochrysene?
The molecular formula of 3-Nitrochrysene is C18H11NO2.
What is the molecular weight of 3-Nitrochrysene?
The molecular weight of 3-Nitrochrysene is 273.08 g/mol.
Where can I buy 3-Nitrochrysene?
You can request a quote for 3-Nitrochrysene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrochrysene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrochrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.