3-Chloro-2-nitrophenalen-1-one
TL;DR: 3-Chloro-2-nitrophenalen-1-one (CAS 650141-35-8) is a chemical compound with molecular formula C13H6ClNO3 and molecular weight 259.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-nitrophenalen-1-one
Also Known As: 3-chloro-2-nitrophenalen-1-one, 3-chloro-2-nitro-phenalen-1-one, 3-chloro-2-nitro-1h-phenalen-1-one
| Molecular Formula | C13H6ClNO3 |
|---|---|
| Molecular Weight | 259.00 g/mol |
| LogP | 3.2202 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.00363 |
| Heavy Atoms | 18 |
| Complexity | 743.7348 |
Chemical Identifiers
| CAS Number | 650141-35-8 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(=C(C(=O)C3=CC=C2)[N+](=O)[O-])Cl |
Product Overview
3-Chloro-2-nitrophenalen-1-one (CAS 650141-35-8), with molecular formula C13H6ClNO3 and molecular weight 259.00 g/mol. IUPAC: 3-chloro-2-nitrophenalen-1-one.
Chemical Property Profile of 3-Chloro-2-nitrophenalen-1-one
Property Insights of 3-Chloro-2-nitrophenalen-1-one
The XLogP value of 3.2202 indicates that 3-Chloro-2-nitrophenalen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-2-nitrophenalen-1-one. Following Lipinski's Rule of Five, 3-Chloro-2-nitrophenalen-1-one has 0 hydrogen bond donor(s) and 3 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 3-Chloro-2-nitrophenalen-1-one?
The CAS number of 3-Chloro-2-nitrophenalen-1-one is 650141-35-8.
What is the molecular formula of 3-Chloro-2-nitrophenalen-1-one?
The molecular formula of 3-Chloro-2-nitrophenalen-1-one is C13H6ClNO3.
What is the molecular weight of 3-Chloro-2-nitrophenalen-1-one?
The molecular weight of 3-Chloro-2-nitrophenalen-1-one is 259.00 g/mol.
Where can I buy 3-Chloro-2-nitrophenalen-1-one?
You can request a quote for 3-Chloro-2-nitrophenalen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-nitrophenalen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-nitrophenalen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.