Benzyl 4-bromobutanoate
TL;DR: Benzyl 4-bromobutanoate (CAS 126430-46-4) is a chemical compound with molecular formula C11H13BrO2 and molecular weight 256.0099 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 4-bromobutanoate
Also Known As: benzyl 4-bromobutanoate, Benzyl4-bromobutanoate, Benzyl 4-bromobutyrate, benzyl-4-bromobutanoate, benzyl-4-bromo-butyrate
Technical Specifications
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 256.0099 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.0099 Da |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)CCCBr |
| InChIKey | JJUJDJNFXYNOKI-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 4-bromobutanoate
Property Insights of Benzyl 4-bromobutanoate
The XLogP value of 3.0 indicates that Benzyl 4-bromobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 4-bromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl 4-bromobutanoate?
The CAS number of Benzyl 4-bromobutanoate is 126430-46-4.
What is the molecular formula of Benzyl 4-bromobutanoate?
The molecular formula of Benzyl 4-bromobutanoate is C11H13BrO2.
What is the molecular weight of Benzyl 4-bromobutanoate?
The molecular weight of Benzyl 4-bromobutanoate is 256.0099 g/mol.
Where can I buy Benzyl 4-bromobutanoate?
You can request a quote for Benzyl 4-bromobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 4-bromobutanoate?
Yes, CoreyChem provides custom synthesis services for Benzyl 4-bromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.