Benzo(e)pyren-3-ol, 8-nitro-
TL;DR: Benzo(e)pyren-3-ol, 8-nitro- (CAS 115664-50-1) is a chemical compound with molecular formula C20H11NO3 and molecular weight 313.07388 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-nitrobenzo[e]pyren-3-ol
Also Known As: 8-nitrobenzo[e]pyren-3-ol, Benzo(e)pyren-3-ol, 8-nitro-, 1-Nitrobenzo(e)pyren-6-ol, 6-Hydroxy-1-nitrobenzo(e)pyrene, 8-Nitro benzo(E)pyren-3-ol
Technical Specifications
| Molecular Formula | C20H11NO3 |
| Molecular Weight | 313.07388 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.07388 Da |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C(C=C3)O)C=CC5=C4C2=C(C=C5)[N+](=O)[O-] |
| InChIKey | RFVBTMAHKTUIBO-UHFFFAOYSA-N |
Chemical Property Profile of Benzo(e)pyren-3-ol, 8-nitro-
Property Insights of Benzo(e)pyren-3-ol, 8-nitro-
The XLogP value of 5.8 indicates that Benzo(e)pyren-3-ol, 8-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(e)pyren-3-ol, 8-nitro-. Following Lipinski's Rule of Five, Benzo(e)pyren-3-ol, 8-nitro- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzo(e)pyren-3-ol, 8-nitro-?
The CAS number of Benzo(e)pyren-3-ol, 8-nitro- is 115664-50-1.
What is the molecular formula of Benzo(e)pyren-3-ol, 8-nitro-?
The molecular formula of Benzo(e)pyren-3-ol, 8-nitro- is C20H11NO3.
What is the molecular weight of Benzo(e)pyren-3-ol, 8-nitro-?
The molecular weight of Benzo(e)pyren-3-ol, 8-nitro- is 313.07388 g/mol.
Where can I buy Benzo(e)pyren-3-ol, 8-nitro-?
You can request a quote for Benzo(e)pyren-3-ol, 8-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo(e)pyren-3-ol, 8-nitro-?
Yes, CoreyChem provides custom synthesis services for Benzo(e)pyren-3-ol, 8-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.