2-(2,4,5-三氯苯氧基)乙基硫酸氢酯
TL;DR: 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯 (CAS 69633-04-1) is a chemical compound with molecular formula C8H7Cl3O5S and molecular weight 319.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,5-三氯苯氧基)乙基硫酸氢酯
2-(2,4,5-trichlorophenoxy)ethyl hydrogen sulfate
Also Known As: Natrin, 2-(2,4,5-Trichlorophenoxy)ethyl hydrogen sulfate, 2,4,5-TES FREE ACID, Ethanol, 2-(2,4,5-trichlorophenoxy)-, hydrogen sulfate, 1,2,4-trichloro-5-(2-sulfooxyethoxy)benzene
| Molecular Formula | C8H7Cl3O5S |
|---|---|
| Molecular Weight | 319.91 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.908 |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 69633-04-1 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)OCCOS(=O)(=O)O |
| InChIKey | YWNCRLWPJZLWGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,4,5-三氯苯氧基)乙基硫酸氢酯 (CAS 69633-04-1), with molecular formula C8H7Cl3O5S and molecular weight 319.91 g/mol. IUPAC: 2-(2,4,5-trichlorophenoxy)ethyl hydrogen sulfate.
Chemical Property Profile of 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯
Property Insights of 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯. Following Lipinski's Rule of Five, 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯 has 1 hydrogen bond donor(s) and 5 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-(2,4,5-三氯苯氧基)乙基硫酸氢酯?
The CAS number of 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯 is 69633-04-1.
What is the molecular formula of 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯?
The molecular formula of 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯 is C8H7Cl3O5S.
What is the molecular weight of 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯?
The molecular weight of 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯 is 319.91 g/mol.
Where can I buy 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯?
You can request a quote for 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4,5-三氯苯氧基)乙基硫酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.