2-Nitropyrene
TL;DR: 2-Nitropyrene (CAS 789-07-1) is a chemical compound with molecular formula C16H9NO2 and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitropyrene
Also Known As: 2-NITROPYRENE, Pyrene, 2-nitro-, 2-Nitro-pyrene, Pyrene,2-nitro-, NITROPYRENE, 2-
| Molecular Formula | C16H9NO2 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.06332 |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 789-07-1 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4)[N+](=O)[O-])C=C2 |
| InChIKey | MAZCGYFIOOIVHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitropyrene (CAS 789-07-1), with molecular formula C16H9NO2 and molecular weight 247.06 g/mol. IUPAC: 2-nitropyrene.
Chemical Property Profile of 2-Nitropyrene
Property Insights of 2-Nitropyrene
The XLogP value of 4.9 indicates that 2-Nitropyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Nitropyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitropyrene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Nitropyrene?
The CAS number of 2-Nitropyrene is 789-07-1.
What is the molecular formula of 2-Nitropyrene?
The molecular formula of 2-Nitropyrene is C16H9NO2.
What is the molecular weight of 2-Nitropyrene?
The molecular weight of 2-Nitropyrene is 247.06 g/mol.
Where can I buy 2-Nitropyrene?
You can request a quote for 2-Nitropyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitropyrene?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitropyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.