Methyl 2-(4-bromophenyl)-2-methylpropanoate
TL;DR: Methyl 2-(4-bromophenyl)-2-methylpropanoate (CAS 1185004-76-5) is a chemical compound with molecular formula C11H13BrO2 and molecular weight 256.0099 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4-bromophenyl)-2-methylpropanoate
Also Known As: METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE, methyl 2-(4-bromophenyl)-2-methylpropanoate, Methyl 2-(4-bromophenyl)-2-methyl-propanoate, Methyl 2-(4-Bromophenyl)-2-methylpropionate, 2-(4-Bromophenyl)-2-methylpropionic acid methyl ester
Technical Specifications
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 256.0099 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.0099 Da |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
| SMILES | CC(C)(C1=CC=C(C=C1)Br)C(=O)OC |
| InChIKey | JTYDXPPFLQSEAQ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(4-bromophenyl)-2-methylpropanoate
Property Insights of Methyl 2-(4-bromophenyl)-2-methylpropanoate
The XLogP value of 3.3 indicates that Methyl 2-(4-bromophenyl)-2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-(4-bromophenyl)-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-bromophenyl)-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
What is the CAS number of Methyl 2-(4-bromophenyl)-2-methylpropanoate?
The CAS number of Methyl 2-(4-bromophenyl)-2-methylpropanoate is 1185004-76-5.
What is the molecular formula of Methyl 2-(4-bromophenyl)-2-methylpropanoate?
The molecular formula of Methyl 2-(4-bromophenyl)-2-methylpropanoate is C11H13BrO2.
What is the molecular weight of Methyl 2-(4-bromophenyl)-2-methylpropanoate?
The molecular weight of Methyl 2-(4-bromophenyl)-2-methylpropanoate is 256.0099 g/mol.
Where can I buy Methyl 2-(4-bromophenyl)-2-methylpropanoate?
You can request a quote for Methyl 2-(4-bromophenyl)-2-methylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(4-bromophenyl)-2-methylpropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(4-bromophenyl)-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.