Butyl (4-chlorophenoxy)acetate
TL;DR: Butyl (4-chlorophenoxy)acetate (CAS 52716-17-3) is a chemical compound with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(4-chlorophenoxy)acetate
Also Known As: Butyl (4-chlorophenoxy)acetate, butyl 2-(4-chlorophenoxy)acetate, butyl(4-chlorophenoxy)acetate, Butyl 4-chlorophenoxyacetate, n-Butyl (p-chlorophenoxy)acetate
| Molecular Formula | C12H15ClO3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.07097 |
| Heavy Atoms | 16 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 52716-17-3 |
|---|---|
| SMILES | CCCCOC(=O)COC1=CC=C(C=C1)Cl |
| InChIKey | GZKDUBJVOZXJOU-UHFFFAOYSA-N |
Product Overview
Butyl (4-chlorophenoxy)acetate (CAS 52716-17-3), with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol. IUPAC: butyl 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of Butyl (4-chlorophenoxy)acetate
Property Insights of Butyl (4-chlorophenoxy)acetate
The XLogP value of 3.7 indicates that Butyl (4-chlorophenoxy)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, Butyl (4-chlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl (4-chlorophenoxy)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 Butyl (4-chlorophenoxy)acetate?
The CAS number of Butyl (4-chlorophenoxy)acetate is 52716-17-3.
What is the molecular formula of Butyl (4-chlorophenoxy)acetate?
The molecular formula of Butyl (4-chlorophenoxy)acetate is C12H15ClO3.
What is the molecular weight of Butyl (4-chlorophenoxy)acetate?
The molecular weight of Butyl (4-chlorophenoxy)acetate is 242.07 g/mol.
Where can I buy Butyl (4-chlorophenoxy)acetate?
You can request a quote for Butyl (4-chlorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (4-chlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (4-chlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.