1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene
TL;DR: 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene (CAS 120812-46-6) is a chemical compound with molecular formula C20H15NO2 and molecular weight 301.1103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene
Also Known As: 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene, 8-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene, 1-nitro-9,10,11,12-tetrahydro-benzo(e)pyrene, 1-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene, Benzo[e]pyrene,9,10,11,12-tetrahydro-1-nitro-
Technical Specifications
| Molecular Formula | C20H15NO2 |
| Molecular Weight | 301.1103 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 301.1103 Da |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
| SMILES | C1CCC2=C(C1)C3=CC=CC4=C3C5=C(C=C4)C=CC(=C25)[N+](=O)[O-] |
| InChIKey | KVTWJUNKDRKCGV-UHFFFAOYSA-N |
Chemical Property Profile of 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene
Property Insights of 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene
The XLogP value of 6.2 indicates that 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene 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-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene?
The CAS number of 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene is 120812-46-6.
What is the molecular formula of 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene?
The molecular formula of 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene is C20H15NO2.
What is the molecular weight of 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene?
The molecular weight of 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene is 301.1103 g/mol.
Where can I buy 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene?
You can request a quote for 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene?
Yes, CoreyChem provides custom synthesis services for 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.