Methyl 2,3-dibromobutanoate
TL;DR: Methyl 2,3-dibromobutanoate (CAS 6328-95-6) is a chemical compound with molecular formula C5H8Br2O2 and molecular weight 257.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3-dibromobutanoate
Also Known As: methyl 2,3-dibromobutanoate, methyl2,3-dibromobutanoate, methyl 2,3-dibro-mobutanoate, Methyl 2(3)-dibromobutanoate, 2,3-dibromo-butyric acid methyl ester
| Molecular Formula | C5H8Br2O2 |
|---|---|
| Molecular Weight | 257.89 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.8891 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 6328-95-6 |
|---|---|
| SMILES | CC(C(C(=O)OC)Br)Br |
| InChIKey | HABGKCAIPKECQJ-UHFFFAOYSA-N |
Product Overview
Methyl 2,3-dibromobutanoate (CAS 6328-95-6), with molecular formula C5H8Br2O2 and molecular weight 257.89 g/mol. IUPAC: methyl 2,3-dibromobutanoate.
Chemical Property Profile of Methyl 2,3-dibromobutanoate
Property Insights of Methyl 2,3-dibromobutanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,3-dibromobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,3-dibromobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,3-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 Methyl 2,3-dibromobutanoate?
The CAS number of Methyl 2,3-dibromobutanoate is 6328-95-6.
What is the molecular formula of Methyl 2,3-dibromobutanoate?
The molecular formula of Methyl 2,3-dibromobutanoate is C5H8Br2O2.
What is the molecular weight of Methyl 2,3-dibromobutanoate?
The molecular weight of Methyl 2,3-dibromobutanoate is 257.89 g/mol.
Where can I buy Methyl 2,3-dibromobutanoate?
You can request a quote for Methyl 2,3-dibromobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3-dibromobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3-dibromobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.