Hexyl 2-(2,4,5-trichlorophenoxy)propionate
TL;DR: Hexyl 2-(2,4,5-trichlorophenoxy)propionate (CAS 94043-01-3) is a chemical compound with molecular formula C15H19Cl3O3 and molecular weight 352.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-(2,4,5-trichlorophenoxy)propanoate
Also Known As: EINECS 301-769-8, Hexyl 2-(2,4,5-trichlorophenoxy)propionate, hexyl 2-(2,4,5-trichlorophenoxy)propanoate, 2-(2,4,5-Trichlorophenoxy)propanoic acid hexyl ester
| Molecular Formula | C15H19Cl3O3 |
|---|---|
| Molecular Weight | 352.04 g/mol |
| LogP | 5.5376 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.03998 |
| Heavy Atoms | 21 |
| Complexity | 477.4768 |
Chemical Identifiers
| CAS Number | 94043-01-3 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C)OC1=CC(=C(C=C1Cl)Cl)Cl |
Product Overview
Hexyl 2-(2,4,5-trichlorophenoxy)propionate (CAS 94043-01-3), with molecular formula C15H19Cl3O3 and molecular weight 352.04 g/mol. IUPAC: hexyl 2-(2,4,5-trichlorophenoxy)propanoate.
Chemical Property Profile of Hexyl 2-(2,4,5-trichlorophenoxy)propionate
Property Insights of Hexyl 2-(2,4,5-trichlorophenoxy)propionate
The XLogP value of 5.5376 indicates that Hexyl 2-(2,4,5-trichlorophenoxy)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Hexyl 2-(2,4,5-trichlorophenoxy)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 2-(2,4,5-trichlorophenoxy)propionate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexyl 2-(2,4,5-trichlorophenoxy)propionate?
The CAS number of Hexyl 2-(2,4,5-trichlorophenoxy)propionate is 94043-01-3.
What is the molecular formula of Hexyl 2-(2,4,5-trichlorophenoxy)propionate?
The molecular formula of Hexyl 2-(2,4,5-trichlorophenoxy)propionate is C15H19Cl3O3.
What is the molecular weight of Hexyl 2-(2,4,5-trichlorophenoxy)propionate?
The molecular weight of Hexyl 2-(2,4,5-trichlorophenoxy)propionate is 352.04 g/mol.
Where can I buy Hexyl 2-(2,4,5-trichlorophenoxy)propionate?
You can request a quote for Hexyl 2-(2,4,5-trichlorophenoxy)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 2-(2,4,5-trichlorophenoxy)propionate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2-(2,4,5-trichlorophenoxy)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.