Isopropyl chloroacetate
TL;DR: Isopropyl chloroacetate (CAS 105-48-6) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.02911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-chloroacetate
Also Known As: ISOPROPYL CHLOROACETATE, Chloroacetic acid isopropyl ester, propan-2-yl 2-chloroacetate, isopropyl 2-chloroacetate, iso-propyl chloroacetate
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9ClO2 |
| Molecular Weight | 136.02911 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.02911 Da |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
| SMILES | CC(C)OC(=O)CCl |
| InChIKey | VODRWDBLLGYRJT-UHFFFAOYSA-N |
Chemical Property Profile of Isopropyl chloroacetate
Property Insights of Isopropyl chloroacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl chloroacetate?
The CAS number of Isopropyl chloroacetate is 105-48-6.
What is the molecular formula of Isopropyl chloroacetate?
The molecular formula of Isopropyl chloroacetate is C5H9ClO2.
What is the molecular weight of Isopropyl chloroacetate?
The molecular weight of Isopropyl chloroacetate is 136.02911 g/mol.
Where can I buy Isopropyl chloroacetate?
You can request a quote for Isopropyl chloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopropyl chloroacetate?
Yes, CoreyChem provides custom synthesis services for Isopropyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.