2,3,5,6-Tetrachloro-4-nitroanisole
TL;DR: 2,3,5,6-Tetrachloro-4-nitroanisole (CAS 2438-88-2) is a chemical compound with molecular formula C7H3Cl4NO3 and molecular weight 288.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5-tetrachloro-3-methoxy-6-nitrobenzene
Also Known As: TCNA, Tetrachloronitroanisole, 2,3,5,6-TETRACHLORO-4-NITROANISOLE, NCI-C03032, 1,2,4,5-Tetrachloro-3-methoxy-6-nitrobenzene
| Molecular Formula | C7H3Cl4NO3 |
|---|---|
| Molecular Weight | 288.89 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.88376 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
| Melting Point | 208 to 105.0 °C |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Vapor Pressure | 0.000038 [mmHg] |
Chemical Identifiers
| CAS Number | 2438-88-2 |
|---|---|
| SMILES | COC1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl |
| InChIKey | BGPPUXMKKQMWLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,5,6-Tetrachloro-4-nitroanisole (CAS 2438-88-2), with molecular formula C7H3Cl4NO3 and molecular weight 288.89 g/mol. IUPAC: 1,2,4,5-tetrachloro-3-methoxy-6-nitrobenzene.
Chemical Property Profile of 2,3,5,6-Tetrachloro-4-nitroanisole
Property Insights of 2,3,5,6-Tetrachloro-4-nitroanisole
The XLogP value of 3.6 indicates that 2,3,5,6-Tetrachloro-4-nitroanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 2,3,5,6-Tetrachloro-4-nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetrachloro-4-nitroanisole 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 2,3,5,6-Tetrachloro-4-nitroanisole?
The CAS number of 2,3,5,6-Tetrachloro-4-nitroanisole is 2438-88-2.
What is the molecular formula of 2,3,5,6-Tetrachloro-4-nitroanisole?
The molecular formula of 2,3,5,6-Tetrachloro-4-nitroanisole is C7H3Cl4NO3.
What is the molecular weight of 2,3,5,6-Tetrachloro-4-nitroanisole?
The molecular weight of 2,3,5,6-Tetrachloro-4-nitroanisole is 288.89 g/mol.
Where can I buy 2,3,5,6-Tetrachloro-4-nitroanisole?
You can request a quote for 2,3,5,6-Tetrachloro-4-nitroanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetrachloro-4-nitroanisole?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetrachloro-4-nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.