Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate
TL;DR: Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate (CAS 53548-46-2) is a chemical compound with molecular formula C16H20Cl2O3 and molecular weight 330.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate
Also Known As: Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate, heptyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate, heptyl 3-(2,4-dichlorophenoxy)prop-2-enoate, 2-Propenoic acid, 3-(2,4-dichlorophenoxy)-, heptyl ester, (E)-
| Molecular Formula | C16H20Cl2O3 |
|---|---|
| Molecular Weight | 330.08 g/mol |
| LogP | 5.3995 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 330.07895 |
| Heavy Atoms | 21 |
| Complexity | 472.58994 |
Chemical Identifiers
| CAS Number | 53548-46-2 |
|---|---|
| SMILES | CCCCCCCOC(=O)/C=C/OC1=C(C=C(C=C1)Cl)Cl |
Product Overview
Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate (CAS 53548-46-2), with molecular formula C16H20Cl2O3 and molecular weight 330.08 g/mol. IUPAC: heptyl (E)-3-(2,4-dichlorophenoxy)prop-2-enoate.
Chemical Property Profile of Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate
Property Insights of Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate
The XLogP value of 5.3995 indicates that Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate 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 Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
The CAS number of Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate is 53548-46-2.
What is the molecular formula of Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
The molecular formula of Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate is C16H20Cl2O3.
What is the molecular weight of Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
The molecular weight of Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate is 330.08 g/mol.
Where can I buy Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
You can request a quote for Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Heptyl (E)-3-(2,4-dichlorophenoxy)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.