(2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate
TL;DR: (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate (CAS 10443-46-6) is a chemical compound with molecular formula C24H33Cl5O2 and molecular weight 528.09235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,3,4,5,6-pentachlorophenyl) octadec-9-enoate
Also Known As: 9-Octadecenoic acid(9Z)-, pentachlorophenyl ester (9CI)
Technical Specifications
| Molecular Formula | C24H33Cl5O2 |
| Molecular Weight | 528.09235 g/mol |
| XLogP | 12.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 530.08936 Da |
| Heavy Atoms | 31 |
| Complexity | 486.0 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | OWGMMEAKLCGGTM-UHFFFAOYSA-N |
Chemical Property Profile of (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate
Property Insights of (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate
The XLogP value of 12.3 indicates that (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate?
The CAS number of (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate is 10443-46-6.
What is the molecular formula of (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate?
The molecular formula of (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate is C24H33Cl5O2.
What is the molecular weight of (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate?
The molecular weight of (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate is 528.09235 g/mol.
Where can I buy (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate?
You can request a quote for (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate?
Yes, CoreyChem provides custom synthesis services for (2,3,4,5,6-Pentachlorophenyl) octadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.