tert-Butyl 2-bromo-2-methylpropionate
TL;DR: tert-Butyl 2-bromo-2-methylpropionate (CAS 23877-12-5) 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.
tert-butyl 2-bromo-2-methylpropanoate
Also Known As: tert-Butyl 2-bromoisobutyrate, tert-butyl 2-bromo-2-methylpropanoate, t-butyl 2-bromo isobutyrate, t-Butyl 2-bromoisobutyrate, t-Butyl2-bromoisobutyrate
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 23877-12-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(C)(C)Br |
| InChIKey | IGVNJALYNQVQIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 2-bromo-2-methylpropionate (CAS 23877-12-5), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: tert-butyl 2-bromo-2-methylpropanoate.
Chemical Property Profile of tert-Butyl 2-bromo-2-methylpropionate
Property Insights of tert-Butyl 2-bromo-2-methylpropionate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-bromo-2-methylpropionate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl 2-bromo-2-methylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 2-bromo-2-methylpropionate 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 tert-Butyl 2-bromo-2-methylpropionate?
The CAS number of tert-Butyl 2-bromo-2-methylpropionate is 23877-12-5.
What is the molecular formula of tert-Butyl 2-bromo-2-methylpropionate?
The molecular formula of tert-Butyl 2-bromo-2-methylpropionate is C8H15BrO2.
What is the molecular weight of tert-Butyl 2-bromo-2-methylpropionate?
The molecular weight of tert-Butyl 2-bromo-2-methylpropionate is 222.03 g/mol.
Where can I buy tert-Butyl 2-bromo-2-methylpropionate?
You can request a quote for tert-Butyl 2-bromo-2-methylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-bromo-2-methylpropionate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-bromo-2-methylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.