1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene
TL;DR: 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene (CAS 49747-98-0) is a chemical compound with molecular formula C6Cl4FNO2 and molecular weight 276.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4,5-tetrachloro-3-fluoro-6-nitrobenzene
Also Known As: 1,2,4,5-tetrachloro-3-fluoro-6-nitrobenzene, KST-1B4537, 1,2,4,5-Tetrachlor-3-fluor-6-nitro-benzol
| Molecular Formula | C6Cl4FNO2 |
|---|---|
| Molecular Weight | 276.87 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.86673 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 49747-98-0 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)F)Cl)Cl)[N+](=O)[O-] |
| InChIKey | OIAYMTHMTLTWJS-UHFFFAOYSA-N |
Product Overview
1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene (CAS 49747-98-0), with molecular formula C6Cl4FNO2 and molecular weight 276.87 g/mol. IUPAC: 1,2,4,5-tetrachloro-3-fluoro-6-nitrobenzene.
Chemical Property Profile of 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene
Property Insights of 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene
The XLogP value of 3.7 indicates that 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene 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 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene?
The CAS number of 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene is 49747-98-0.
What is the molecular formula of 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene?
The molecular formula of 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene is C6Cl4FNO2.
What is the molecular weight of 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene?
The molecular weight of 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene is 276.87 g/mol.
Where can I buy 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene?
You can request a quote for 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Tetrachloro-3-fluoro-6-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.