Pentachlorophenyl chloroacetate
TL;DR: Pentachlorophenyl chloroacetate (CAS 7400-28-4) is a chemical compound with molecular formula C8H2Cl6O2 and molecular weight 339.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) 2-chloroacetate
Also Known As: Pentachlorophenyl chloroacetate, pentachlorophenol chloroacetate, chloroacetic acid pentachlorophenyl ester, (2,3,4,5,6-pentachlorophenyl) 2-chloroacetate, 2,3,4,5,6-pentachlorophenyl 2-chloroacetate
| Molecular Formula | C8H2Cl6O2 |
|---|---|
| Molecular Weight | 339.82 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.8186 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 7400-28-4 |
|---|---|
| SMILES | C(C(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | OCCPWFCBTICIIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentachlorophenyl chloroacetate (CAS 7400-28-4), with molecular formula C8H2Cl6O2 and molecular weight 339.82 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) 2-chloroacetate.
Chemical Property Profile of Pentachlorophenyl chloroacetate
Property Insights of Pentachlorophenyl chloroacetate
The XLogP value of 5.4 indicates that Pentachlorophenyl chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentachlorophenyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorophenyl chloroacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentachlorophenyl chloroacetate?
The CAS number of Pentachlorophenyl chloroacetate is 7400-28-4.
What is the molecular formula of Pentachlorophenyl chloroacetate?
The molecular formula of Pentachlorophenyl chloroacetate is C8H2Cl6O2.
What is the molecular weight of Pentachlorophenyl chloroacetate?
The molecular weight of Pentachlorophenyl chloroacetate is 339.82 g/mol.
Where can I buy Pentachlorophenyl chloroacetate?
You can request a quote for Pentachlorophenyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorophenyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorophenyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.