Isopropyl 4-(2,4-dichlorophenoxy)butyrate
TL;DR: Isopropyl 4-(2,4-dichlorophenoxy)butyrate (CAS 51550-63-1) is a chemical compound with molecular formula C13H16Cl2O3 and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(2,4-dichlorophenoxy)butanoate
Also Known As: Isopropyl 4-(2,4-dichlorophenoxy)butyrate, propan-2-yl 4-(2,4-dichlorophenoxy)butanoate, isopropyl 4-(2,4-dichlorophenoxy)butanoate, 1-METHYLETHYL 4-(2,4-DICHLOROPHENOXY)BUTANOATE, 4-(2,4-Dichlorophenoxy)butyric acid 1-methylethyl ester
| Molecular Formula | C13H16Cl2O3 |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 290.04764 |
| Heavy Atoms | 18 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 51550-63-1 |
|---|---|
| SMILES | CC(C)OC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | DDIQJQKDYCRPLQ-UHFFFAOYSA-N |
Product Overview
Isopropyl 4-(2,4-dichlorophenoxy)butyrate (CAS 51550-63-1), with molecular formula C13H16Cl2O3 and molecular weight 290.05 g/mol. IUPAC: propan-2-yl 4-(2,4-dichlorophenoxy)butanoate.
Chemical Property Profile of Isopropyl 4-(2,4-dichlorophenoxy)butyrate
Property Insights of Isopropyl 4-(2,4-dichlorophenoxy)butyrate
The XLogP value of 4.7 indicates that Isopropyl 4-(2,4-dichlorophenoxy)butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Isopropyl 4-(2,4-dichlorophenoxy)butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 4-(2,4-dichlorophenoxy)butyrate has 0 hydrogen bond donor(s) and 3 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 Isopropyl 4-(2,4-dichlorophenoxy)butyrate?
The CAS number of Isopropyl 4-(2,4-dichlorophenoxy)butyrate is 51550-63-1.
What is the molecular formula of Isopropyl 4-(2,4-dichlorophenoxy)butyrate?
The molecular formula of Isopropyl 4-(2,4-dichlorophenoxy)butyrate is C13H16Cl2O3.
What is the molecular weight of Isopropyl 4-(2,4-dichlorophenoxy)butyrate?
The molecular weight of Isopropyl 4-(2,4-dichlorophenoxy)butyrate is 290.05 g/mol.
Where can I buy Isopropyl 4-(2,4-dichlorophenoxy)butyrate?
You can request a quote for Isopropyl 4-(2,4-dichlorophenoxy)butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4-(2,4-dichlorophenoxy)butyrate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4-(2,4-dichlorophenoxy)butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.