Pentachloroacetophenone
TL;DR: Pentachloroacetophenone (CAS 25201-35-8) is a chemical compound with molecular formula C8H3Cl5O and molecular weight 289.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,4,5,6-pentachlorophenyl)ethanone
Also Known As: Pentachloroacetophenone, 1-(Pentachlorophenyl)ethanone, 1-(perchlorophenyl)ethanone, Ethanone, 1-(pentachlorophenyl)-, 1-(2,3,4,5,6-pentachlorophenyl)ethanone
| Molecular Formula | C8H3Cl5O |
|---|---|
| Molecular Weight | 289.86 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.8597 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 25201-35-8 |
|---|---|
| SMILES | CC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | HPWXYMIPHGLDLX-UHFFFAOYSA-N |
Product Overview
Pentachloroacetophenone (CAS 25201-35-8), with molecular formula C8H3Cl5O and molecular weight 289.86 g/mol. IUPAC: 1-(2,3,4,5,6-pentachlorophenyl)ethanone.
Chemical Property Profile of Pentachloroacetophenone
Property Insights of Pentachloroacetophenone
The XLogP value of 4.7 indicates that Pentachloroacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Pentachloroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentachloroacetophenone has 0 hydrogen bond donor(s) and 1 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 Pentachloroacetophenone?
The CAS number of Pentachloroacetophenone is 25201-35-8.
What is the molecular formula of Pentachloroacetophenone?
The molecular formula of Pentachloroacetophenone is C8H3Cl5O.
What is the molecular weight of Pentachloroacetophenone?
The molecular weight of Pentachloroacetophenone is 289.86 g/mol.
Where can I buy Pentachloroacetophenone?
You can request a quote for Pentachloroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentachloroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for Pentachloroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.