Phenyl (2,4-dichlorophenoxy)acetate
TL;DR: Phenyl (2,4-dichlorophenoxy)acetate (CAS 5253-44-1) is a chemical compound with molecular formula C14H10Cl2O3 and molecular weight 296.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-(2,4-dichlorophenoxy)acetate
Also Known As: phenyl (2,4-dichlorophenoxy)acetate, phenyl 2-(2,4-dichlorophenoxy)acetate, Acetic acid, (2,4-dichlorophenoxy)-, phenyl ester, BIM-0048064.P001, acetic acid,(2,4-dichlorophenoxy)-,phenyl ester
| Molecular Formula | C14H10Cl2O3 |
|---|---|
| Molecular Weight | 296.00 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.0007 |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 5253-44-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)COC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | VJJAGGWCTRGANO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl (2,4-dichlorophenoxy)acetate (CAS 5253-44-1), with molecular formula C14H10Cl2O3 and molecular weight 296.00 g/mol. IUPAC: phenyl 2-(2,4-dichlorophenoxy)acetate.
Chemical Property Profile of Phenyl (2,4-dichlorophenoxy)acetate
Property Insights of Phenyl (2,4-dichlorophenoxy)acetate
The XLogP value of 4.7 indicates that Phenyl (2,4-dichlorophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Phenyl (2,4-dichlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl (2,4-dichlorophenoxy)acetate 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 Phenyl (2,4-dichlorophenoxy)acetate?
The CAS number of Phenyl (2,4-dichlorophenoxy)acetate is 5253-44-1.
What is the molecular formula of Phenyl (2,4-dichlorophenoxy)acetate?
The molecular formula of Phenyl (2,4-dichlorophenoxy)acetate is C14H10Cl2O3.
What is the molecular weight of Phenyl (2,4-dichlorophenoxy)acetate?
The molecular weight of Phenyl (2,4-dichlorophenoxy)acetate is 296.00 g/mol.
Where can I buy Phenyl (2,4-dichlorophenoxy)acetate?
You can request a quote for Phenyl (2,4-dichlorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl (2,4-dichlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl (2,4-dichlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.