3-Nitro-7,8-dihydrobenzo(a)pyrene
TL;DR: 3-Nitro-7,8-dihydrobenzo(a)pyrene (CAS 132742-04-2) is a chemical compound with molecular formula C20H13NO2 and molecular weight 299.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitro-7,8-dihydrobenzo[a]pyrene
Also Known As: 3-Nitro-7,8-dihydrobenzo(a)pyrene, 7,8-Dihydro-3-nitrobenzo(a)pyrene, Benzo(a)pyrene, 7,8-dihydro-3-nitro-, 3-nitro-7,8-dihydrobenzo[a]pyrene, 3-Nitro-7,8-dihydrobenzo[pqr]tetraphene
Technical Specifications
| Molecular Formula | C20H13NO2 |
| Molecular Weight | 299.09464 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.09464 Da |
| Heavy Atoms | 23 |
| Complexity | 524.0 |
| SMILES | C1CC2=C(C=C1)C3=C4C(=C2)C=CC5=C(C=CC(=C54)C=C3)[N+](=O)[O-] |
| InChIKey | LKDVEINPXRIPAY-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitro-7,8-dihydrobenzo(a)pyrene
Property Insights of 3-Nitro-7,8-dihydrobenzo(a)pyrene
The XLogP value of 5.9 indicates that 3-Nitro-7,8-dihydrobenzo(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, 3-Nitro-7,8-dihydrobenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitro-7,8-dihydrobenzo(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 3-Nitro-7,8-dihydrobenzo(a)pyrene?
The CAS number of 3-Nitro-7,8-dihydrobenzo(a)pyrene is 132742-04-2.
What is the molecular formula of 3-Nitro-7,8-dihydrobenzo(a)pyrene?
The molecular formula of 3-Nitro-7,8-dihydrobenzo(a)pyrene is C20H13NO2.
What is the molecular weight of 3-Nitro-7,8-dihydrobenzo(a)pyrene?
The molecular weight of 3-Nitro-7,8-dihydrobenzo(a)pyrene is 299.09464 g/mol.
Where can I buy 3-Nitro-7,8-dihydrobenzo(a)pyrene?
You can request a quote for 3-Nitro-7,8-dihydrobenzo(a)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitro-7,8-dihydrobenzo(a)pyrene?
Yes, CoreyChem provides custom synthesis services for 3-Nitro-7,8-dihydrobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.