8-Hydroxy-1-nitrobenzo(e)pyrene
TL;DR: 8-Hydroxy-1-nitrobenzo(e)pyrene (CAS 115664-51-2) is a chemical compound with molecular formula C20H11NO3 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitrobenzo[l]pyren-8-ol
Also Known As: 1-nitrobenzo[l]pyren-8-ol, 8-Hydroxy-1-nitrobenzo(e)pyrene, 1-Nitrobenzo(e)pyren-8-ol, 8-Nitro-benzo(E)pyren-1-OL, Benzo(e)pyren-1-ol, 8-nitro-
| Molecular Formula | C20H11NO3 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.07388 |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 115664-51-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C=CC4=C3C5=C(C=C4)C=CC(=C25)O)[N+](=O)[O-] |
| InChIKey | JWOJCMLFEHGEJS-UHFFFAOYSA-N |
Product Overview
8-Hydroxy-1-nitrobenzo(e)pyrene (CAS 115664-51-2), with molecular formula C20H11NO3 and molecular weight 313.07 g/mol. IUPAC: 1-nitrobenzo[l]pyren-8-ol.
Chemical Property Profile of 8-Hydroxy-1-nitrobenzo(e)pyrene
Property Insights of 8-Hydroxy-1-nitrobenzo(e)pyrene
The XLogP value of 5.2 indicates that 8-Hydroxy-1-nitrobenzo(e)pyrene 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 8-Hydroxy-1-nitrobenzo(e)pyrene. Following Lipinski's Rule of Five, 8-Hydroxy-1-nitrobenzo(e)pyrene has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Hydroxy-1-nitrobenzo(e)pyrene?
The CAS number of 8-Hydroxy-1-nitrobenzo(e)pyrene is 115664-51-2.
What is the molecular formula of 8-Hydroxy-1-nitrobenzo(e)pyrene?
The molecular formula of 8-Hydroxy-1-nitrobenzo(e)pyrene is C20H11NO3.
What is the molecular weight of 8-Hydroxy-1-nitrobenzo(e)pyrene?
The molecular weight of 8-Hydroxy-1-nitrobenzo(e)pyrene is 313.07 g/mol.
Where can I buy 8-Hydroxy-1-nitrobenzo(e)pyrene?
You can request a quote for 8-Hydroxy-1-nitrobenzo(e)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Hydroxy-1-nitrobenzo(e)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 8-Hydroxy-1-nitrobenzo(e)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.