Benzyl 2,4-dibromobutanoate
TL;DR: Benzyl 2,4-dibromobutanoate (CAS 50712-74-8) is a chemical compound with molecular formula C11H12Br2O2 and molecular weight 333.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,4-dibromobutanoate
Also Known As: Benzyl 2,4-dibromobutanoate, Benzyl 2,4-dibromobutyrate, dimethylbenzyl phosphate, benzyl-2,4-dibromobutanoate, BENZYL2,4-DIBROMOBUTANOATE
| Molecular Formula | C11H12Br2O2 |
|---|---|
| Molecular Weight | 333.92 g/mol |
| LogP | 3.2783 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.9204 |
| Heavy Atoms | 15 |
| Complexity | 300.71603 |
Chemical Identifiers
| CAS Number | 50712-74-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CCBr)Br |
Product Overview
Benzyl 2,4-dibromobutanoate (CAS 50712-74-8), with molecular formula C11H12Br2O2 and molecular weight 333.92 g/mol. IUPAC: benzyl 2,4-dibromobutanoate.
Chemical Property Profile of Benzyl 2,4-dibromobutanoate
Property Insights of Benzyl 2,4-dibromobutanoate
The XLogP value of 3.2783 indicates that Benzyl 2,4-dibromobutanoate 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 2,4-dibromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2,4-dibromobutanoate 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
Frequently Asked Questions
What is the CAS number of Benzyl 2,4-dibromobutanoate?
The CAS number of Benzyl 2,4-dibromobutanoate is 50712-74-8.
What is the molecular formula of Benzyl 2,4-dibromobutanoate?
The molecular formula of Benzyl 2,4-dibromobutanoate is C11H12Br2O2.
What is the molecular weight of Benzyl 2,4-dibromobutanoate?
The molecular weight of Benzyl 2,4-dibromobutanoate is 333.92 g/mol.
Where can I buy Benzyl 2,4-dibromobutanoate?
You can request a quote for Benzyl 2,4-dibromobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2,4-dibromobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2,4-dibromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.