Methyl 3,4-dibromobutanoate
TL;DR: Methyl 3,4-dibromobutanoate (CAS 151865-30-4) is a chemical compound with molecular formula C5H8Br2O2 and molecular weight 257.8891 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3,4-dibromobutanoate
Also Known As: methyl 3,4-dibromobutanoate, 3,4-Dibromobutanoic acid methyl ester, J2.060.525A
Technical Specifications
| Molecular Formula | C5H8Br2O2 |
| Molecular Weight | 257.8891 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 | 257.8891 Da |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
| SMILES | COC(=O)CC(CBr)Br |
| InChIKey | WPYCXMKONZFXPE-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3,4-dibromobutanoate
Property Insights of Methyl 3,4-dibromobutanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-dibromobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3,4-dibromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4-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
What is the CAS number of Methyl 3,4-dibromobutanoate?
The CAS number of Methyl 3,4-dibromobutanoate is 151865-30-4.
What is the molecular formula of Methyl 3,4-dibromobutanoate?
The molecular formula of Methyl 3,4-dibromobutanoate is C5H8Br2O2.
What is the molecular weight of Methyl 3,4-dibromobutanoate?
The molecular weight of Methyl 3,4-dibromobutanoate is 257.8891 g/mol.
Where can I buy Methyl 3,4-dibromobutanoate?
You can request a quote for Methyl 3,4-dibromobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3,4-dibromobutanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3,4-dibromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.