Allyl 2-bromo-2-methylpropionate
TL;DR: Allyl 2-bromo-2-methylpropionate (CAS 40630-82-8) is a chemical compound with molecular formula C7H11BrO2 and molecular weight 205.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-bromo-2-methylpropanoate
Also Known As: Allyl 2-bromo-2-methylpropionate, allyl 2-bromoisobutyrate, Fenofibrate Impurity 26, Allyl2-bromo-2-methylpropionate, prop-2-enyl 2-bromo-2-methylpropanoate
| Molecular Formula | C7H11BrO2 |
|---|---|
| Molecular Weight | 205.99 g/mol |
| LogP | 1.8891 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.99425 |
| Heavy Atoms | 10 |
| Complexity | 135.03175 |
Chemical Identifiers
| CAS Number | 40630-82-8 |
|---|---|
| SMILES | CC(C)(C(=O)OCC=C)Br |
Product Overview
Allyl 2-bromo-2-methylpropionate (CAS 40630-82-8), with molecular formula C7H11BrO2 and molecular weight 205.99 g/mol. IUPAC: prop-2-enyl 2-bromo-2-methylpropanoate.
Chemical Property Profile of Allyl 2-bromo-2-methylpropionate
Property Insights of Allyl 2-bromo-2-methylpropionate
The XLogP value of 1.8891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl 2-bromo-2-methylpropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl 2-bromo-2-methylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 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 Allyl 2-bromo-2-methylpropionate?
The CAS number of Allyl 2-bromo-2-methylpropionate is 40630-82-8.
What is the molecular formula of Allyl 2-bromo-2-methylpropionate?
The molecular formula of Allyl 2-bromo-2-methylpropionate is C7H11BrO2.
What is the molecular weight of Allyl 2-bromo-2-methylpropionate?
The molecular weight of Allyl 2-bromo-2-methylpropionate is 205.99 g/mol.
Where can I buy Allyl 2-bromo-2-methylpropionate?
You can request a quote for Allyl 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 Allyl 2-bromo-2-methylpropionate?
Yes, KEHONG BIO provides custom synthesis services for Allyl 2-bromo-2-methylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.