Pentachlorophenol acetate
TL;DR: Pentachlorophenol acetate (CAS 1441-02-7) is a chemical compound with molecular formula C8H3Cl5O2 and molecular weight 305.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) acetate
Also Known As: Pentachlorophenol acetate, PENTACHLOROPHENYL ACETATE, Rabcon, Pentachlorphenyl acetate, Phenol, acetate
| Molecular Formula | C8H3Cl5O2 |
|---|---|
| Molecular Weight | 305.86 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.8546 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 1441-02-7 |
|---|---|
| SMILES | CC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | RRYATXLRCBOQTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentachlorophenol acetate (CAS 1441-02-7), with molecular formula C8H3Cl5O2 and molecular weight 305.86 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) acetate.
Chemical Property Profile of Pentachlorophenol acetate
Property Insights of Pentachlorophenol acetate
The XLogP value of 4.8 indicates that Pentachlorophenol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentachlorophenol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachlorophenol acetate 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 Pentachlorophenol acetate?
The CAS number of Pentachlorophenol acetate is 1441-02-7.
What is the molecular formula of Pentachlorophenol acetate?
The molecular formula of Pentachlorophenol acetate is C8H3Cl5O2.
What is the molecular weight of Pentachlorophenol acetate?
The molecular weight of Pentachlorophenol acetate is 305.86 g/mol.
Where can I buy Pentachlorophenol acetate?
You can request a quote for Pentachlorophenol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachlorophenol acetate?
Yes, KEHONG BIO provides custom synthesis services for Pentachlorophenol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.