Pentachlorophenyl dichloroacetate
TL;DR: Pentachlorophenyl dichloroacetate (CAS 7400-29-5) is a chemical compound with molecular formula C8HCl7O2 and molecular weight 373.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) 2,2-dichloroacetate
Also Known As: Pentachlorophenyl dichloroacetate, DCA-O-PCP, KDDDLTRKFSGKHG-UHFFFAOYSA-, perchlorophenyl 2,2-dichloroacetate, (2,3,4,5,6-pentachlorophenyl) 2,2-dichloroacetate
| Molecular Formula | C8HCl7O2 |
|---|---|
| Molecular Weight | 373.78 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.77963 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 7400-29-5 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)OC(=O)C(Cl)Cl |
| InChIKey | KDDDLTRKFSGKHG-UHFFFAOYSA-N |
Product Overview
Pentachlorophenyl dichloroacetate (CAS 7400-29-5), with molecular formula C8HCl7O2 and molecular weight 373.78 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) 2,2-dichloroacetate.
Chemical Property Profile of Pentachlorophenyl dichloroacetate
Property Insights of Pentachlorophenyl dichloroacetate
The XLogP value of 6.2 indicates that Pentachlorophenyl 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, Pentachlorophenyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorophenyl dichloroacetate 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 dichloroacetate?
The CAS number of Pentachlorophenyl dichloroacetate is 7400-29-5.
What is the molecular formula of Pentachlorophenyl dichloroacetate?
The molecular formula of Pentachlorophenyl dichloroacetate is C8HCl7O2.
What is the molecular weight of Pentachlorophenyl dichloroacetate?
The molecular weight of Pentachlorophenyl dichloroacetate is 373.78 g/mol.
Where can I buy Pentachlorophenyl dichloroacetate?
You can request a quote for Pentachlorophenyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorophenyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorophenyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.