(4-Chlorophenyl) 2,2-dichloroacetate
TL;DR: (4-Chlorophenyl) 2,2-dichloroacetate (CAS 18133-57-8) is a chemical compound with molecular formula C8H5Cl3O2 and molecular weight 237.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 2,2-dichloroacetate
Also Known As: (4-chlorophenyl) 2,2-dichloroacetate, 4-chlorophenyl dichloroacetate, p-chlorophenyl dichloroacetate, 4-chlorophenyl 2,2-dichloroacetate, Dichloroacetic acid, 4-chlorophenyl ester
| Molecular Formula | C8H5Cl3O2 |
|---|---|
| Molecular Weight | 237.94 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.93552 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 18133-57-8 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=O)C(Cl)Cl)Cl |
| InChIKey | XBXQIOFECZDDPP-UHFFFAOYSA-N |
Product Overview
(4-Chlorophenyl) 2,2-dichloroacetate (CAS 18133-57-8), with molecular formula C8H5Cl3O2 and molecular weight 237.94 g/mol. IUPAC: (4-chlorophenyl) 2,2-dichloroacetate.
Chemical Property Profile of (4-Chlorophenyl) 2,2-dichloroacetate
Property Insights of (4-Chlorophenyl) 2,2-dichloroacetate
The XLogP value of 3.6 indicates that (4-Chlorophenyl) 2,2-dichloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (4-Chlorophenyl) 2,2-dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl) 2,2-dichloroacetate has 0 hydrogen bond donor(s) and 2 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 (4-Chlorophenyl) 2,2-dichloroacetate?
The CAS number of (4-Chlorophenyl) 2,2-dichloroacetate is 18133-57-8.
What is the molecular formula of (4-Chlorophenyl) 2,2-dichloroacetate?
The molecular formula of (4-Chlorophenyl) 2,2-dichloroacetate is C8H5Cl3O2.
What is the molecular weight of (4-Chlorophenyl) 2,2-dichloroacetate?
The molecular weight of (4-Chlorophenyl) 2,2-dichloroacetate is 237.94 g/mol.
Where can I buy (4-Chlorophenyl) 2,2-dichloroacetate?
You can request a quote for (4-Chlorophenyl) 2,2-dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl) 2,2-dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl) 2,2-dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.