1,8-Dinitrobenzo(e)pyrene
TL;DR: 1,8-Dinitrobenzo(e)pyrene (CAS 120812-52-4) is a chemical compound with molecular formula C20H10N2O4 and molecular weight 342.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,8-dinitrobenzo[e]pyrene
Also Known As: 1,8-Dinitrobenzo(e)pyrene, 1,8-dinitrobenzo[e]pyrene, 1,8-dinitro-benzo(e)pyrene, Benzo[e]pyrene, 1,8-dinitro-, BENZO(E)PYRENE, 1,8-DINITRO-
Technical Specifications
| Molecular Formula | C20H10N2O4 |
| Molecular Weight | 342.06406 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 342.06406 Da |
| Heavy Atoms | 26 |
| Complexity | 548.0 |
| SMILES | C1=CC=C2C(=C1)C3=C(C=CC4=C3C5=C(C=C4)C=CC(=C25)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VYHYUQJBLGBWIS-UHFFFAOYSA-N |
Chemical Property Profile of 1,8-Dinitrobenzo(e)pyrene
Property Insights of 1,8-Dinitrobenzo(e)pyrene
The XLogP value of 5.4 indicates that 1,8-Dinitrobenzo(e)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Dinitrobenzo(e)pyrene. Following Lipinski's Rule of Five, 1,8-Dinitrobenzo(e)pyrene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,8-Dinitrobenzo(e)pyrene?
The CAS number of 1,8-Dinitrobenzo(e)pyrene is 120812-52-4.
What is the molecular formula of 1,8-Dinitrobenzo(e)pyrene?
The molecular formula of 1,8-Dinitrobenzo(e)pyrene is C20H10N2O4.
What is the molecular weight of 1,8-Dinitrobenzo(e)pyrene?
The molecular weight of 1,8-Dinitrobenzo(e)pyrene is 342.06406 g/mol.
Where can I buy 1,8-Dinitrobenzo(e)pyrene?
You can request a quote for 1,8-Dinitrobenzo(e)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,8-Dinitrobenzo(e)pyrene?
Yes, CoreyChem provides custom synthesis services for 1,8-Dinitrobenzo(e)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.