6-Nitrosobenzo(a)pyrene
TL;DR: 6-Nitrosobenzo(a)pyrene (CAS 118745-15-6) is a chemical compound with molecular formula C20H11NO and molecular weight 281.08408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-nitrosobenzo[a]pyrene
Also Known As: 6-Nitrosobenzo(a)pyrene, 6-nitrosobenzo[a]pyrene, Benzo(a)pyrene, 6-nitroso-, 6-NO-BaP, 6-nitrosobenzo[pqr]tetraphene
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H11NO |
| Molecular Weight | 281.08408 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.08408 Da |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2N=O)C=CC5=CC=CC(=C54)C=C3 |
| InChIKey | ICRDTHCKNWXAFG-UHFFFAOYSA-N |
Chemical Property Profile of 6-Nitrosobenzo(a)pyrene
Property Insights of 6-Nitrosobenzo(a)pyrene
The XLogP value of 5.7 indicates that 6-Nitrosobenzo(a)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 6-Nitrosobenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Nitrosobenzo(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 6-Nitrosobenzo(a)pyrene?
The CAS number of 6-Nitrosobenzo(a)pyrene is 118745-15-6.
What is the molecular formula of 6-Nitrosobenzo(a)pyrene?
The molecular formula of 6-Nitrosobenzo(a)pyrene is C20H11NO.
What is the molecular weight of 6-Nitrosobenzo(a)pyrene?
The molecular weight of 6-Nitrosobenzo(a)pyrene is 281.08408 g/mol.
Where can I buy 6-Nitrosobenzo(a)pyrene?
You can request a quote for 6-Nitrosobenzo(a)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Nitrosobenzo(a)pyrene?
Yes, CoreyChem provides custom synthesis services for 6-Nitrosobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.