tert-Butyl 4-bromobutanoate
TL;DR: tert-Butyl 4-bromobutanoate (CAS 110611-91-1) is a chemical compound with molecular formula C8H15BrO2 and molecular weight 222.02554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 4-bromobutanoate
Also Known As: tert-butyl 4-bromobutanoate, t-butyl 4-bromobutanoate, t-Butyl 4-bromobutyrate, tert-butyl 4-bromobutyrate, Elagolix Impurity 6
Technical Specifications
| Molecular Formula | C8H15BrO2 |
| Molecular Weight | 222.02554 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.02554 Da |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
| SMILES | CC(C)(C)OC(=O)CCCBr |
| InChIKey | HJEZRYIJNHAIGY-UHFFFAOYSA-N |
Chemical Property Profile of tert-Butyl 4-bromobutanoate
Property Insights of tert-Butyl 4-bromobutanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 4-bromobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl 4-bromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 4-bromobutanoate 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 tert-Butyl 4-bromobutanoate?
The CAS number of tert-Butyl 4-bromobutanoate is 110611-91-1.
What is the molecular formula of tert-Butyl 4-bromobutanoate?
The molecular formula of tert-Butyl 4-bromobutanoate is C8H15BrO2.
What is the molecular weight of tert-Butyl 4-bromobutanoate?
The molecular weight of tert-Butyl 4-bromobutanoate is 222.02554 g/mol.
Where can I buy tert-Butyl 4-bromobutanoate?
You can request a quote for tert-Butyl 4-bromobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl 4-bromobutanoate?
Yes, CoreyChem provides custom synthesis services for tert-Butyl 4-bromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.