Butanoic acid, 2-bromo-, ethyl ester
TL;DR: Butanoic acid, 2-bromo-, ethyl ester (CAS 533-68-6) 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.
ethyl 2-bromobutanoate
Also Known As: Ethyl 2-bromobutanoate, Ethyl 2-bromobutyrate, DL-Ethyl 2-bromobutyrate, 2-Bromobutanoic acid ethyl ester, Ethyl alpha-bromobutyrate
| Molecular Formula | C6H11BrO2 |
|---|---|
| Molecular Weight | 193.99 g/mol |
| LogP | 2.2 |
| 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 | 533-68-6 |
|---|---|
| SMILES | CCC(C(=O)OCC)Br |
| InChIKey | XIMFCGSNSKXPBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 2-bromo-, ethyl ester (CAS 533-68-6), with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol. IUPAC: ethyl 2-bromobutanoate.
Chemical Property Profile of Butanoic acid, 2-bromo-, ethyl ester
Property Insights of Butanoic acid, 2-bromo-, ethyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-bromo-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 2-bromo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-bromo-, ethyl 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 Butanoic acid, 2-bromo-, ethyl ester?
The CAS number of Butanoic acid, 2-bromo-, ethyl ester is 533-68-6.
What is the molecular formula of Butanoic acid, 2-bromo-, ethyl ester?
The molecular formula of Butanoic acid, 2-bromo-, ethyl ester is C6H11BrO2.
What is the molecular weight of Butanoic acid, 2-bromo-, ethyl ester?
The molecular weight of Butanoic acid, 2-bromo-, ethyl ester is 193.99 g/mol.
Where can I buy Butanoic acid, 2-bromo-, ethyl ester?
You can request a quote for Butanoic acid, 2-bromo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-bromo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-bromo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.