1-(Pentachlorophenyl)ethyl acetate
TL;DR: 1-(Pentachlorophenyl)ethyl acetate (CAS 73579-08-5) is a chemical compound with molecular formula C10H7Cl5O2 and molecular weight 333.89 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)ethyl acetate
Also Known As: 1-(pentachlorophenyl)ethyl acetate, KST-1B8191, 1-Pentachlorphenyl-1-acetoxy-ethan, 1-(2,3,4,5,6-pentachlorophenyl)ethyl acetate
| Molecular Formula | C10H7Cl5O2 |
|---|---|
| Molecular Weight | 333.89 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.88885 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 73579-08-5 |
|---|---|
| SMILES | CC(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)OC(=O)C |
| InChIKey | AUYUFOAJKQTOEM-UHFFFAOYSA-N |
Product Overview
1-(Pentachlorophenyl)ethyl acetate (CAS 73579-08-5), with molecular formula C10H7Cl5O2 and molecular weight 333.89 g/mol. IUPAC: 1-(2,3,4,5,6-pentachlorophenyl)ethyl acetate.
Chemical Property Profile of 1-(Pentachlorophenyl)ethyl acetate
Property Insights of 1-(Pentachlorophenyl)ethyl acetate
The XLogP value of 5.2 indicates that 1-(Pentachlorophenyl)ethyl 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, 1-(Pentachlorophenyl)ethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pentachlorophenyl)ethyl acetate 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 1-(Pentachlorophenyl)ethyl acetate?
The CAS number of 1-(Pentachlorophenyl)ethyl acetate is 73579-08-5.
What is the molecular formula of 1-(Pentachlorophenyl)ethyl acetate?
The molecular formula of 1-(Pentachlorophenyl)ethyl acetate is C10H7Cl5O2.
What is the molecular weight of 1-(Pentachlorophenyl)ethyl acetate?
The molecular weight of 1-(Pentachlorophenyl)ethyl acetate is 333.89 g/mol.
Where can I buy 1-(Pentachlorophenyl)ethyl acetate?
You can request a quote for 1-(Pentachlorophenyl)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Pentachlorophenyl)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Pentachlorophenyl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.