1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate
TL;DR: 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate (CAS 53404-14-1) is a chemical compound with molecular formula C17H23Cl3O3 and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-2-yl 2-(2,4,5-trichlorophenoxy)propanoate
Also Known As: Fenoprop 1-methylheptyl ester, Silvex 1-methylheptyl ester, Silvex, isooctyl (2-octyl) ester, 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate, SILVEX, 1-METHYLHEPTYL ESTER
| Molecular Formula | C17H23Cl3O3 |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 380.0713 |
| Heavy Atoms | 23 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 53404-14-1 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)C(C)OC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | NBWODOKZOKFQJY-UHFFFAOYSA-N |
Product Overview
1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate (CAS 53404-14-1), with molecular formula C17H23Cl3O3 and molecular weight 380.07 g/mol. IUPAC: octan-2-yl 2-(2,4,5-trichlorophenoxy)propanoate.
Chemical Property Profile of 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate
Property Insights of 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate
The XLogP value of 7.4 indicates that 1-Methylheptyl 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 35.5 Ų, 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylheptyl 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 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate?
The CAS number of 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate is 53404-14-1.
What is the molecular formula of 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate?
The molecular formula of 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate is C17H23Cl3O3.
What is the molecular weight of 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate?
The molecular weight of 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate is 380.07 g/mol.
Where can I buy 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate?
You can request a quote for 1-Methylheptyl 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 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylheptyl 2-(2,4,5-trichlorophenoxy)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.