Butanoic acid, 2-bromo-, butyl ester
TL;DR: Butanoic acid, 2-bromo-, butyl ester (CAS 42115-48-0) is a chemical compound with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-bromobutanoate
Also Known As: Butyl 2-bromobutanoate, Butyl 2-bromobutyrate, Butanoic acid, 2-bromo-, butyl ester, Butyl 2-bromobutanoate #, 2-Bromobutyric acid N-butyl ester
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 42115-48-0 |
|---|---|
| SMILES | CCCCOC(=O)C(CC)Br |
| InChIKey | DKZLMRKANVHJGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 2-bromo-, butyl ester (CAS 42115-48-0), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: butyl 2-bromobutanoate.
Chemical Property Profile of Butanoic acid, 2-bromo-, butyl ester
Property Insights of Butanoic acid, 2-bromo-, butyl ester
The XLogP value of 3.1 indicates that Butanoic acid, 2-bromo-, butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 2-bromo-, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-bromo-, butyl 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-, butyl ester?
The CAS number of Butanoic acid, 2-bromo-, butyl ester is 42115-48-0.
What is the molecular formula of Butanoic acid, 2-bromo-, butyl ester?
The molecular formula of Butanoic acid, 2-bromo-, butyl ester is C8H15BrO2.
What is the molecular weight of Butanoic acid, 2-bromo-, butyl ester?
The molecular weight of Butanoic acid, 2-bromo-, butyl ester is 222.03 g/mol.
Where can I buy Butanoic acid, 2-bromo-, butyl ester?
You can request a quote for Butanoic acid, 2-bromo-, butyl 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-, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-bromo-, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.