3-Nitrobenzo(e)pyrene
TL;DR: 3-Nitrobenzo(e)pyrene (CAS 80182-35-0) is a chemical compound with molecular formula C20H11NO2 and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrobenzo[e]pyrene
Also Known As: 3-Nitrobenzo(e)pyrene, 3-nitrobenzo[e]pyrene, Nitrobenzo(e)pyrene, Benzo[e]pyrene, 3-nitro-, 3-nitrobenzo pyrene
| Molecular Formula | C20H11NO2 |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 297.07898 |
| Heavy Atoms | 23 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 80182-35-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC5=C4C2=CC=C5 |
| InChIKey | KUIZRZFISMTDJY-UHFFFAOYSA-N |
Product Overview
3-Nitrobenzo(e)pyrene (CAS 80182-35-0), with molecular formula C20H11NO2 and molecular weight 297.08 g/mol. IUPAC: 3-nitrobenzo[e]pyrene.
Chemical Property Profile of 3-Nitrobenzo(e)pyrene
Property Insights of 3-Nitrobenzo(e)pyrene
The XLogP value of 6.3 indicates that 3-Nitrobenzo(e)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-Nitrobenzo(e)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitrobenzo(e)pyrene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Nitrobenzo(e)pyrene?
The CAS number of 3-Nitrobenzo(e)pyrene is 80182-35-0.
What is the molecular formula of 3-Nitrobenzo(e)pyrene?
The molecular formula of 3-Nitrobenzo(e)pyrene is C20H11NO2.
What is the molecular weight of 3-Nitrobenzo(e)pyrene?
The molecular weight of 3-Nitrobenzo(e)pyrene is 297.08 g/mol.
Where can I buy 3-Nitrobenzo(e)pyrene?
You can request a quote for 3-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 3-Nitrobenzo(e)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobenzo(e)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.