Nitroclofene
TL;DR: Nitroclofene (CAS 39224-48-1) is a chemical compound with molecular formula C13H8Cl2N2O6 and molecular weight 357.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-[(5-chloro-2-hydroxy-3-nitrophenyl)methyl]-4-nitrophenol
Also Known As: Nitroclofene, Nitroclofeno, Nitroclofenum, nitroclofene[inn], Nitroclofene [INN]
| Molecular Formula | C13H8Cl2N2O6 |
|---|---|
| Molecular Weight | 357.98 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.97595 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 39224-48-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Cl)[N+](=O)[O-])O)O)Cl)[N+](=O)[O-] |
| InChIKey | DIRNVHCNISKNQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitroclofene (CAS 39224-48-1), with molecular formula C13H8Cl2N2O6 and molecular weight 357.98 g/mol. IUPAC: 2-chloro-6-[(5-chloro-2-hydroxy-3-nitrophenyl)methyl]-4-nitrophenol.
Chemical Property Profile of Nitroclofene
Property Insights of Nitroclofene
The XLogP value of 4.7 indicates that Nitroclofene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitroclofene. Following Lipinski's Rule of Five, Nitroclofene has 2 hydrogen bond donor(s) and 6 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 Nitroclofene?
The CAS number of Nitroclofene is 39224-48-1.
What is the molecular formula of Nitroclofene?
The molecular formula of Nitroclofene is C13H8Cl2N2O6.
What is the molecular weight of Nitroclofene?
The molecular weight of Nitroclofene is 357.98 g/mol.
Where can I buy Nitroclofene?
You can request a quote for Nitroclofene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitroclofene?
Yes, KEHONG BIO provides custom synthesis services for Nitroclofene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.