氯乙酸-2,4,5-三氯苯酯
TL;DR: 氯乙酸-2,4,5-三氯苯酯 (CAS 5902-69-2) is a chemical compound with molecular formula C8H4Cl4O2 and molecular weight 271.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯乙酸-2,4,5-三氯苯酯
(2,4,5-trichlorophenyl) 2-chloroacetate
Also Known As: Dow F 800, 2,4,5-Trichlorophenyl chloroacetate, Dow F-800, Dow-F-800, AI3-23267
| Molecular Formula | C8H4Cl4O2 |
|---|---|
| Molecular Weight | 271.90 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.8936 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 5902-69-2 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)OC(=O)CCl |
| InChIKey | HERRLRXZMJPBFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯乙酸-2,4,5-三氯苯酯 (CAS 5902-69-2), with molecular formula C8H4Cl4O2 and molecular weight 271.90 g/mol. IUPAC: (2,4,5-trichlorophenyl) 2-chloroacetate.
Chemical Property Profile of 氯乙酸-2,4,5-三氯苯酯
Property Insights of 氯乙酸-2,4,5-三氯苯酯
The XLogP value of 4.2 indicates that 氯乙酸-2,4,5-三氯苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 氯乙酸-2,4,5-三氯苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯乙酸-2,4,5-三氯苯酯 has 0 hydrogen bond donor(s) and 2 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 氯乙酸-2,4,5-三氯苯酯?
The CAS number of 氯乙酸-2,4,5-三氯苯酯 is 5902-69-2.
What is the molecular formula of 氯乙酸-2,4,5-三氯苯酯?
The molecular formula of 氯乙酸-2,4,5-三氯苯酯 is C8H4Cl4O2.
What is the molecular weight of 氯乙酸-2,4,5-三氯苯酯?
The molecular weight of 氯乙酸-2,4,5-三氯苯酯 is 271.90 g/mol.
Where can I buy 氯乙酸-2,4,5-三氯苯酯?
You can request a quote for 氯乙酸-2,4,5-三氯苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯乙酸-2,4,5-三氯苯酯?
Yes, KEHONG BIO provides custom synthesis services for 氯乙酸-2,4,5-三氯苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.