2-Nitrofluoranthene
TL;DR: 2-Nitrofluoranthene (CAS 13177-29-2) 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-nitrofluoranthene
Also Known As: 2-NITROFLUORANTHENE, Fluoranthene, 2-nitro-, n-Decyl mercaptan, 2-nitrofluorantene, Fluoranthene, nitro-
| Molecular Formula | C16H9NO2 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 5.0 |
| 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 | 377.0 |
Chemical Identifiers
| CAS Number | 13177-29-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC4=CC(=CC2=C43)[N+](=O)[O-] |
| InChIKey | VBCBFNMZBHKVQN-UHFFFAOYSA-N |
Product Overview
2-Nitrofluoranthene (CAS 13177-29-2), with molecular formula C16H9NO2 and molecular weight 247.06 g/mol. IUPAC: 2-nitrofluoranthene.
Chemical Property Profile of 2-Nitrofluoranthene
Property Insights of 2-Nitrofluoranthene
The XLogP value of 5.0 indicates that 2-Nitrofluoranthene 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-Nitrofluoranthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitrofluoranthene 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-Nitrofluoranthene?
The CAS number of 2-Nitrofluoranthene is 13177-29-2.
What is the molecular formula of 2-Nitrofluoranthene?
The molecular formula of 2-Nitrofluoranthene is C16H9NO2.
What is the molecular weight of 2-Nitrofluoranthene?
The molecular weight of 2-Nitrofluoranthene is 247.06 g/mol.
Where can I buy 2-Nitrofluoranthene?
You can request a quote for 2-Nitrofluoranthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrofluoranthene?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrofluoranthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.