3-溴-2-甲基丙酸乙酯
TL;DR: 3-溴-2-甲基丙酸乙酯 (CAS 59154-46-0) is a chemical compound with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴-2-甲基丙酸乙酯
ethyl 3-bromo-2-methylpropanoate
Also Known As: Ethyl 3-bromo-2-methylpropanoate, Ethyl 3-bromo-2-methylpropionate, lauric acid-d23, ETHYL ALPHA-BROMOISOBUTYRATE, Ethyl .alpha.-bromoisobutyrate
| Molecular Formula | C6H11BrO2 |
|---|---|
| Molecular Weight | 193.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.99425 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 59154-46-0 |
|---|---|
| SMILES | CCOC(=O)C(C)CBr |
| InChIKey | VTORDCJYLAYUQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴-2-甲基丙酸乙酯 (CAS 59154-46-0), with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol. IUPAC: ethyl 3-bromo-2-methylpropanoate.
Chemical Property Profile of 3-溴-2-甲基丙酸乙酯
Property Insights of 3-溴-2-甲基丙酸乙酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-溴-2-甲基丙酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 3-溴-2-甲基丙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴-2-甲基丙酸乙酯 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 3-溴-2-甲基丙酸乙酯?
The CAS number of 3-溴-2-甲基丙酸乙酯 is 59154-46-0.
What is the molecular formula of 3-溴-2-甲基丙酸乙酯?
The molecular formula of 3-溴-2-甲基丙酸乙酯 is C6H11BrO2.
What is the molecular weight of 3-溴-2-甲基丙酸乙酯?
The molecular weight of 3-溴-2-甲基丙酸乙酯 is 193.99 g/mol.
Where can I buy 3-溴-2-甲基丙酸乙酯?
You can request a quote for 3-溴-2-甲基丙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴-2-甲基丙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-溴-2-甲基丙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.