Isobutyl 4-bromobenzoate
TL;DR: Isobutyl 4-bromobenzoate (CAS 143675-89-2) 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.
2-methylpropyl 4-bromobenzoate
Also Known As: Isobutyl 4-bromobenzoate, iso-butyl 4-bromobenzoate, 2-methylpropyl 4-bromobenzoate, Isobutyl 4-bromobenzoate #, PARA BROMO ISOBUTYLBENZOATE
| Molecular Formula | C11H13BrO2 |
|---|---|
| Molecular Weight | 256.01 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.0099 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 143675-89-2 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=C(C=C1)Br |
| InChIKey | NQPBBLSKHPOXEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl 4-bromobenzoate (CAS 143675-89-2), with molecular formula C11H13BrO2 and molecular weight 256.01 g/mol. IUPAC: 2-methylpropyl 4-bromobenzoate.
Chemical Property Profile of Isobutyl 4-bromobenzoate
Property Insights of Isobutyl 4-bromobenzoate
The XLogP value of 4.5 indicates that Isobutyl 4-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 4-bromobenzoate 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 Isobutyl 4-bromobenzoate?
The CAS number of Isobutyl 4-bromobenzoate is 143675-89-2.
What is the molecular formula of Isobutyl 4-bromobenzoate?
The molecular formula of Isobutyl 4-bromobenzoate is C11H13BrO2.
What is the molecular weight of Isobutyl 4-bromobenzoate?
The molecular weight of Isobutyl 4-bromobenzoate is 256.01 g/mol.
Where can I buy Isobutyl 4-bromobenzoate?
You can request a quote for Isobutyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.