Octan-2-yl 2-chloroacetate
TL;DR: Octan-2-yl 2-chloroacetate (CAS 20411-47-6) is a chemical compound with molecular formula C10H19ClO2 and molecular weight 206.10736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octan-2-yl 2-chloroacetate
Also Known As: octan-2-yl 2-chloroacetate, 1-Methylheptyl chloroacetate, octan-2-yl chloroacetate, 2-Octyl chloroacetate, Octan-2-yl2-chloroacetate
Technical Specifications
| Molecular Formula | C10H19ClO2 |
| Molecular Weight | 206.10736 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 206.10736 Da |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
| SMILES | CCCCCCC(C)OC(=O)CCl |
| InChIKey | IJDHTIMWHATBKH-UHFFFAOYSA-N |
Chemical Property Profile of Octan-2-yl 2-chloroacetate
Property Insights of Octan-2-yl 2-chloroacetate
The XLogP value of 4.0 indicates that Octan-2-yl 2-chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octan-2-yl 2-chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octan-2-yl 2-chloroacetate 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
What is the CAS number of Octan-2-yl 2-chloroacetate?
The CAS number of Octan-2-yl 2-chloroacetate is 20411-47-6.
What is the molecular formula of Octan-2-yl 2-chloroacetate?
The molecular formula of Octan-2-yl 2-chloroacetate is C10H19ClO2.
What is the molecular weight of Octan-2-yl 2-chloroacetate?
The molecular weight of Octan-2-yl 2-chloroacetate is 206.10736 g/mol.
Where can I buy Octan-2-yl 2-chloroacetate?
You can request a quote for Octan-2-yl 2-chloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octan-2-yl 2-chloroacetate?
Yes, CoreyChem provides custom synthesis services for Octan-2-yl 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.