Isoamyl pentachlorophenyl ether
TL;DR: Isoamyl pentachlorophenyl ether (CAS 63918-79-6) is a chemical compound with molecular formula C11H11Cl5O and molecular weight 333.92526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5-pentachloro-6-(3-methylbutoxy)benzene
Also Known As: Isoamyl pentachlorophenyl ether, Isopentylpentachlorophenyl ether, Benzene, pentachloro(3-methylbutoxy)-, ETHER, ISOPENTYL PENTACHLOROPHENYL, 1,2,3,4,5-pentachloro-6-(3-methylbutoxy)benzene
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11Cl5O |
| Molecular Weight | 333.92526 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.9223 Da |
| Heavy Atoms | 17 |
| Complexity | 222.0 |
| SMILES | CC(C)CCOC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | PKDCVWRKTAWUET-UHFFFAOYSA-N |
Chemical Property Profile of Isoamyl pentachlorophenyl ether
Property Insights of Isoamyl pentachlorophenyl ether
The XLogP value of 6.7 indicates that Isoamyl pentachlorophenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Isoamyl pentachlorophenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl pentachlorophenyl ether has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isoamyl pentachlorophenyl ether?
The CAS number of Isoamyl pentachlorophenyl ether is 63918-79-6.
What is the molecular formula of Isoamyl pentachlorophenyl ether?
The molecular formula of Isoamyl pentachlorophenyl ether is C11H11Cl5O.
What is the molecular weight of Isoamyl pentachlorophenyl ether?
The molecular weight of Isoamyl pentachlorophenyl ether is 333.92526 g/mol.
Where can I buy Isoamyl pentachlorophenyl ether?
You can request a quote for Isoamyl pentachlorophenyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoamyl pentachlorophenyl ether?
Yes, CoreyChem provides custom synthesis services for Isoamyl pentachlorophenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.