Acetic acid, dichlorophenoxy-, butyl ester
TL;DR: Acetic acid, dichlorophenoxy-, butyl ester (CAS 64047-35-4) is a chemical compound with molecular formula C12H14Cl2O3 and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,2-dichloro-2-phenoxyacetate
Also Known As: Butyl dichlorophenoxyacetate, Butyl ester of dichlorophenoxyacetic acid, Butyl dichloro(phenoxy)acetate, ACETIC ACID, DICHLOROPHENOXY-, BUTYL ESTER, butyl 2,2-dichloro-2-phenoxyacetate
| Molecular Formula | C12H14Cl2O3 |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.032 |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 64047-35-4 |
|---|---|
| SMILES | CCCCOC(=O)C(OC1=CC=CC=C1)(Cl)Cl |
| InChIKey | SIELAEDSLMYTRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, dichlorophenoxy-, butyl ester (CAS 64047-35-4), with molecular formula C12H14Cl2O3 and molecular weight 276.03 g/mol. IUPAC: butyl 2,2-dichloro-2-phenoxyacetate.
Chemical Property Profile of Acetic acid, dichlorophenoxy-, butyl ester
Property Insights of Acetic acid, dichlorophenoxy-, butyl ester
The XLogP value of 4.3 indicates that Acetic acid, dichlorophenoxy-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid, dichlorophenoxy-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, dichlorophenoxy-, butyl ester 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 Acetic acid, dichlorophenoxy-, butyl ester?
The CAS number of Acetic acid, dichlorophenoxy-, butyl ester is 64047-35-4.
What is the molecular formula of Acetic acid, dichlorophenoxy-, butyl ester?
The molecular formula of Acetic acid, dichlorophenoxy-, butyl ester is C12H14Cl2O3.
What is the molecular weight of Acetic acid, dichlorophenoxy-, butyl ester?
The molecular weight of Acetic acid, dichlorophenoxy-, butyl ester is 276.03 g/mol.
Where can I buy Acetic acid, dichlorophenoxy-, butyl ester?
You can request a quote for Acetic acid, dichlorophenoxy-, butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, dichlorophenoxy-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, dichlorophenoxy-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.