Isopropyl bromoacetate
TL;DR: Isopropyl bromoacetate (CAS 29921-57-1) is a chemical compound with molecular formula C5H9BrO2 and molecular weight 179.97859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-bromoacetate
Also Known As: Isopropyl bromoacetate, propan-2-yl 2-bromoacetate, isopropyl 2-bromoacetate, i-propyl bromoacetate, BrCH2C(O)OCH(CH3)2
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H9BrO2 |
| Molecular Weight | 179.97859 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.97859 Da |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
| SMILES | CC(C)OC(=O)CBr |
| InChIKey | JCWLEWKPXYZHGQ-UHFFFAOYSA-N |
Chemical Property Profile of Isopropyl bromoacetate
Property Insights of Isopropyl bromoacetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl bromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl bromoacetate 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 bromoacetate?
The CAS number of Isopropyl bromoacetate is 29921-57-1.
What is the molecular formula of Isopropyl bromoacetate?
The molecular formula of Isopropyl bromoacetate is C5H9BrO2.
What is the molecular weight of Isopropyl bromoacetate?
The molecular weight of Isopropyl bromoacetate is 179.97859 g/mol.
Where can I buy Isopropyl bromoacetate?
You can request a quote for Isopropyl bromoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopropyl bromoacetate?
Yes, CoreyChem provides custom synthesis services for Isopropyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.