Methylnitrochrysene
TL;DR: Methylnitrochrysene (CAS 80182-33-8) is a chemical compound with molecular formula C19H13NO2 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-nitrochrysene
Also Known As: METHYLNITROCHRYSENE, 1-methyl-3-nitrochrysene, Chrysene, methylnitro-(9CI)
| Molecular Formula | C19H13NO2 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 287.09464 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 80182-33-8 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C=CC3=C2C=CC4=CC=CC=C43)[N+](=O)[O-] |
| InChIKey | ZIAOMROBSCTTJG-UHFFFAOYSA-N |
Product Overview
Methylnitrochrysene (CAS 80182-33-8), with molecular formula C19H13NO2 and molecular weight 287.09 g/mol. IUPAC: 1-methyl-3-nitrochrysene.
Chemical Property Profile of Methylnitrochrysene
Property Insights of Methylnitrochrysene
The XLogP value of 5.9 indicates that Methylnitrochrysene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Methylnitrochrysene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylnitrochrysene 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 Methylnitrochrysene?
The CAS number of Methylnitrochrysene is 80182-33-8.
What is the molecular formula of Methylnitrochrysene?
The molecular formula of Methylnitrochrysene is C19H13NO2.
What is the molecular weight of Methylnitrochrysene?
The molecular weight of Methylnitrochrysene is 287.09 g/mol.
Where can I buy Methylnitrochrysene?
You can request a quote for Methylnitrochrysene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylnitrochrysene?
Yes, KEHONG BIO provides custom synthesis services for Methylnitrochrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.