2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene
TL;DR: 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene (CAS 141511-28-6) is a chemical compound with molecular formula C20H19NO2 and molecular weight 305.14157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitro-4,5,7,8,9,10,11,12-octahydrobenzo[a]pyrene
Also Known As: 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene, Benzo(a)pyrene, 4,5,7,8,9,10,11,12-octahydro-2-nitro-, 2-nitro-4,5,7,8,9,10,11,12-octahydrobenzo[a]pyrene, 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzopyrene, 2-nitro-4,5,7,8,9,10,11,12-octahydrobenzo[pqr]tetraphene
Technical Specifications
| Molecular Formula | C20H19NO2 |
| Molecular Weight | 305.14157 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 305.14157 Da |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
| SMILES | C1CCC2=C3CCC4=CC(=CC5=C4C3=C(CC5)C=C2C1)[N+](=O)[O-] |
| InChIKey | YKDMOHKMDIVHQS-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene
Property Insights of 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene
The XLogP value of 5.3 indicates that 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)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, 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)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 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene?
The CAS number of 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene is 141511-28-6.
What is the molecular formula of 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene?
The molecular formula of 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene is C20H19NO2.
What is the molecular weight of 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene?
The molecular weight of 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene is 305.14157 g/mol.
Where can I buy 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene?
You can request a quote for 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene?
Yes, CoreyChem provides custom synthesis services for 2-Nitro-4,5,7,8,9,10,11,12-octahydrobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.