Ethyl 2-(2,4-dichlorophenoxy)heptanoate
TL;DR: Ethyl 2-(2,4-dichlorophenoxy)heptanoate (CAS 7462-16-0) is a chemical compound with molecular formula C15H20Cl2O3 and molecular weight 318.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,4-dichlorophenoxy)heptanoate
Also Known As: ethyl 2-(2,4-dichlorophenoxy)heptanoate
| Molecular Formula | C15H20Cl2O3 |
|---|---|
| Molecular Weight | 318.08 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 318.07895 |
| Heavy Atoms | 20 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 7462-16-0 |
|---|---|
| SMILES | CCCCCC(C(=O)OCC)OC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | TXXLNSFJTZKNCK-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2,4-dichlorophenoxy)heptanoate (CAS 7462-16-0), with molecular formula C15H20Cl2O3 and molecular weight 318.08 g/mol. IUPAC: ethyl 2-(2,4-dichlorophenoxy)heptanoate.
Chemical Property Profile of Ethyl 2-(2,4-dichlorophenoxy)heptanoate
Property Insights of Ethyl 2-(2,4-dichlorophenoxy)heptanoate
The XLogP value of 5.8 indicates that Ethyl 2-(2,4-dichlorophenoxy)heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 2-(2,4-dichlorophenoxy)heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(2,4-dichlorophenoxy)heptanoate 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 Ethyl 2-(2,4-dichlorophenoxy)heptanoate?
The CAS number of Ethyl 2-(2,4-dichlorophenoxy)heptanoate is 7462-16-0.
What is the molecular formula of Ethyl 2-(2,4-dichlorophenoxy)heptanoate?
The molecular formula of Ethyl 2-(2,4-dichlorophenoxy)heptanoate is C15H20Cl2O3.
What is the molecular weight of Ethyl 2-(2,4-dichlorophenoxy)heptanoate?
The molecular weight of Ethyl 2-(2,4-dichlorophenoxy)heptanoate is 318.08 g/mol.
Where can I buy Ethyl 2-(2,4-dichlorophenoxy)heptanoate?
You can request a quote for Ethyl 2-(2,4-dichlorophenoxy)heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2,4-dichlorophenoxy)heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2,4-dichlorophenoxy)heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.