6-Nitrobenzo(a)pyrene
TL;DR: 6-Nitrobenzo(a)pyrene (CAS 63041-90-7) 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.
6-nitrobenzo[a]pyrene
Also Known As: 6-Nitrobenzo[a]pyrene, 6-Nitrobenz(a)pyrene, 6-NITROBENZO(A)PYRENE, 6-nitrobenz[a]pyrene, Benzo(a)pyrene, 6-nitro-
| Molecular Formula | C20H11NO2 |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 6.6 |
| 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 |
| Melting Point | 250.5-251 °C; 255-256 °C |
| Solubility | Limited solubility in toluene and benzene |
Chemical Identifiers
| CAS Number | 63041-90-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2[N+](=O)[O-])C=CC5=CC=CC(=C54)C=C3 |
| InChIKey | NMMAFYSZGOFZCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitrobenzo(a)pyrene (CAS 63041-90-7), with molecular formula C20H11NO2 and molecular weight 297.08 g/mol. IUPAC: 6-nitrobenzo[a]pyrene.
Chemical Property Profile of 6-Nitrobenzo(a)pyrene
Property Insights of 6-Nitrobenzo(a)pyrene
The XLogP value of 6.6 indicates that 6-Nitrobenzo(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, 6-Nitrobenzo(a)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Nitrobenzo(a)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 6-Nitrobenzo(a)pyrene?
The CAS number of 6-Nitrobenzo(a)pyrene is 63041-90-7.
What is the molecular formula of 6-Nitrobenzo(a)pyrene?
The molecular formula of 6-Nitrobenzo(a)pyrene is C20H11NO2.
What is the molecular weight of 6-Nitrobenzo(a)pyrene?
The molecular weight of 6-Nitrobenzo(a)pyrene is 297.08 g/mol.
Where can I buy 6-Nitrobenzo(a)pyrene?
You can request a quote for 6-Nitrobenzo(a)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitrobenzo(a)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitrobenzo(a)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.