2,3,6-Trichloro-4-nitrophenol
TL;DR: 2,3,6-Trichloro-4-nitrophenol (CAS 20404-02-8) is a chemical compound with molecular formula C6H2Cl3NO3 and molecular weight 240.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-trichloro-4-nitrophenol
Also Known As: 2,3,6-TRICHLORO-4-NITROPHENOL, Lenvatinib Impurity 170, Phenol,2,3,6-trichloro-4-nitro-, 2,3,6-Trichlor-4-nitro-phenol, Phenol, 2,3,6-trichloro-4-nitro-
| Molecular Formula | C6H2Cl3NO3 |
|---|---|
| Molecular Weight | 240.91 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.91002 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 20404-02-8 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)O)Cl)Cl)[N+](=O)[O-] |
| InChIKey | UAXQXSVCGHEVMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,6-Trichloro-4-nitrophenol (CAS 20404-02-8), with molecular formula C6H2Cl3NO3 and molecular weight 240.91 g/mol. IUPAC: 2,3,6-trichloro-4-nitrophenol.
Chemical Property Profile of 2,3,6-Trichloro-4-nitrophenol
Property Insights of 2,3,6-Trichloro-4-nitrophenol
The XLogP value of 3.9 indicates that 2,3,6-Trichloro-4-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,6-Trichloro-4-nitrophenol. Following Lipinski's Rule of Five, 2,3,6-Trichloro-4-nitrophenol has 1 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 2,3,6-Trichloro-4-nitrophenol?
The CAS number of 2,3,6-Trichloro-4-nitrophenol is 20404-02-8.
What is the molecular formula of 2,3,6-Trichloro-4-nitrophenol?
The molecular formula of 2,3,6-Trichloro-4-nitrophenol is C6H2Cl3NO3.
What is the molecular weight of 2,3,6-Trichloro-4-nitrophenol?
The molecular weight of 2,3,6-Trichloro-4-nitrophenol is 240.91 g/mol.
Where can I buy 2,3,6-Trichloro-4-nitrophenol?
You can request a quote for 2,3,6-Trichloro-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-Trichloro-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trichloro-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.