Isopropyl 3-bromopropanoate
TL;DR: Isopropyl 3-bromopropanoate (CAS 100983-10-6) is a chemical compound with molecular formula C6H11BrO2 and molecular weight 193.99425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 3-bromopropanoate
Also Known As: Isopropyl 3-bromopropanoate, propan-2-yl 3-bromopropanoate, Propanoic acid, 3-bromo-, 1-methylethyl ester, 19,19-difluorotestosterone benzoate, 3-bromo-propionic acid isopropyl ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H11BrO2 |
| Molecular Weight | 193.99425 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.99425 Da |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
| SMILES | CC(C)OC(=O)CCBr |
| InChIKey | KQNJUTDIDREYGN-UHFFFAOYSA-N |
Chemical Property Profile of Isopropyl 3-bromopropanoate
Property Insights of Isopropyl 3-bromopropanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 3-bromopropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl 3-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 3-bromopropanoate 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 3-bromopropanoate?
The CAS number of Isopropyl 3-bromopropanoate is 100983-10-6.
What is the molecular formula of Isopropyl 3-bromopropanoate?
The molecular formula of Isopropyl 3-bromopropanoate is C6H11BrO2.
What is the molecular weight of Isopropyl 3-bromopropanoate?
The molecular weight of Isopropyl 3-bromopropanoate is 193.99425 g/mol.
Where can I buy Isopropyl 3-bromopropanoate?
You can request a quote for Isopropyl 3-bromopropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopropyl 3-bromopropanoate?
Yes, CoreyChem provides custom synthesis services for Isopropyl 3-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.