Propanoic acid, 2-methyl, 2-bromoethyl ester
TL;DR: Propanoic acid, 2-methyl, 2-bromoethyl ester (CAS 84443-44-7) 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.
2-bromoethyl 2-methylpropanoate
Also Known As: 2-bromoethyl 2-methylpropanoate, 2-bromoethyl isobutyrate, 2-bromo ethyl isobutyrate, Propanoic acid, 2-methyl, 2-bromoethyl ester, Propanoic acid, 2-methyl-, 2-bromoethyl ester
| Molecular Formula | C6H11BrO2 |
|---|---|
| Molecular Weight | 193.99 g/mol |
| LogP | 1.9 |
| 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 | 91.0 |
Chemical Identifiers
| CAS Number | 84443-44-7 |
|---|---|
| SMILES | CC(C)C(=O)OCCBr |
| InChIKey | VMLNDWJRYDOHHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2-methyl, 2-bromoethyl ester (CAS 84443-44-7), with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol. IUPAC: 2-bromoethyl 2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-methyl, 2-bromoethyl ester
Property Insights of Propanoic acid, 2-methyl, 2-bromoethyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-methyl, 2-bromoethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2-methyl, 2-bromoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl, 2-bromoethyl ester 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 Propanoic acid, 2-methyl, 2-bromoethyl ester?
The CAS number of Propanoic acid, 2-methyl, 2-bromoethyl ester is 84443-44-7.
What is the molecular formula of Propanoic acid, 2-methyl, 2-bromoethyl ester?
The molecular formula of Propanoic acid, 2-methyl, 2-bromoethyl ester is C6H11BrO2.
What is the molecular weight of Propanoic acid, 2-methyl, 2-bromoethyl ester?
The molecular weight of Propanoic acid, 2-methyl, 2-bromoethyl ester is 193.99 g/mol.
Where can I buy Propanoic acid, 2-methyl, 2-bromoethyl ester?
You can request a quote for Propanoic acid, 2-methyl, 2-bromoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-methyl, 2-bromoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl, 2-bromoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.