4-Bromophenyl pivalate
TL;DR: 4-Bromophenyl pivalate (CAS 63549-55-3) is a chemical compound with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 2,2-dimethylpropanoate
Also Known As: 4-bromophenyl pivalate, 4-bromophenyl 2,2-dimethylpropanoate, (4-bromophenyl) 2,2-dimethylpropanoate, 1-(Pivaloyloxy)-4-bromobenzene, Pivalic acid 4-bromophenyl ester
| Molecular Formula | C11H13BrO2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.0099 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 63549-55-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC=C(C=C1)Br |
| InChIKey | AOFCPDLMHXFUHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromophenyl pivalate (CAS 63549-55-3), with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol. IUPAC: (4-bromophenyl) 2,2-dimethylpropanoate.
Chemical Property Profile of 4-Bromophenyl pivalate
Property Insights of 4-Bromophenyl pivalate
The XLogP value of 3.8 indicates that 4-Bromophenyl pivalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Bromophenyl pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl pivalate 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 4-Bromophenyl pivalate?
The CAS number of 4-Bromophenyl pivalate is 63549-55-3.
What is the molecular formula of 4-Bromophenyl pivalate?
The molecular formula of 4-Bromophenyl pivalate is C11H13BrO2.
What is the molecular weight of 4-Bromophenyl pivalate?
The molecular weight of 4-Bromophenyl pivalate is 256.01 g/mol.
Where can I buy 4-Bromophenyl pivalate?
You can request a quote for 4-Bromophenyl pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenyl pivalate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.