Butyl 2-bromo-2-methylpropanoate
TL;DR: Butyl 2-bromo-2-methylpropanoate (CAS 60277-69-2) 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-bromo-2-methylpropanoate
Also Known As: butyl 2-bromo-2-methylpropanoate, Butyl 2-bromo-2-methylpropionate, butyl 2-bromoisobutyrate, Brom-isobuttersaures n-Butyl, 1-thiophen-2-ylicosan-1-one
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 60277-69-2 |
|---|---|
| SMILES | CCCCOC(=O)C(C)(C)Br |
| InChIKey | BOWQDFRKKXVCCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2-bromo-2-methylpropanoate (CAS 60277-69-2), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: butyl 2-bromo-2-methylpropanoate.
Chemical Property Profile of Butyl 2-bromo-2-methylpropanoate
Property Insights of Butyl 2-bromo-2-methylpropanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-bromo-2-methylpropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 2-bromo-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-bromo-2-methylpropanoate 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 Butyl 2-bromo-2-methylpropanoate?
The CAS number of Butyl 2-bromo-2-methylpropanoate is 60277-69-2.
What is the molecular formula of Butyl 2-bromo-2-methylpropanoate?
The molecular formula of Butyl 2-bromo-2-methylpropanoate is C8H15BrO2.
What is the molecular weight of Butyl 2-bromo-2-methylpropanoate?
The molecular weight of Butyl 2-bromo-2-methylpropanoate is 222.03 g/mol.
Where can I buy Butyl 2-bromo-2-methylpropanoate?
You can request a quote for Butyl 2-bromo-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-bromo-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-bromo-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.