Chrysene, 5-nitro-
TL;DR: Chrysene, 5-nitro- (CAS 89455-17-4) 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.
5-nitrochrysene
Also Known As: 5-Nitrochrysene, Chrysene, 5-nitro-, Chrysene,5-nitro-, RefChem:334122
| Molecular Formula | C18H11NO2 |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 5.5 |
| 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 | 89455-17-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C(=CC4=CC=CC=C34)[N+](=O)[O-] |
| InChIKey | QLZJJKYYXIPEGC-UHFFFAOYSA-N |
Product Overview
Chrysene, 5-nitro- (CAS 89455-17-4), with molecular formula C18H11NO2 and molecular weight 273.08 g/mol. IUPAC: 5-nitrochrysene.
Chemical Property Profile of Chrysene, 5-nitro-
Property Insights of Chrysene, 5-nitro-
The XLogP value of 5.5 indicates that Chrysene, 5-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, Chrysene, 5-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chrysene, 5-nitro- 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 Chrysene, 5-nitro-?
The CAS number of Chrysene, 5-nitro- is 89455-17-4.
What is the molecular formula of Chrysene, 5-nitro-?
The molecular formula of Chrysene, 5-nitro- is C18H11NO2.
What is the molecular weight of Chrysene, 5-nitro-?
The molecular weight of Chrysene, 5-nitro- is 273.08 g/mol.
Where can I buy Chrysene, 5-nitro-?
You can request a quote for Chrysene, 5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chrysene, 5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Chrysene, 5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.