Isopropyl 4-bromobenzoate
TL;DR: Isopropyl 4-bromobenzoate (CAS 59247-48-2) is a chemical compound with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-bromobenzoate
Also Known As: Isopropyl 4-bromobenzoate, propan-2-yl 4-bromobenzoate, Isopropyl4-bromobenzoate, isopropyl p-bromobenzoate, Isopropyl 4-bromobenzoate #
| Molecular Formula | C10H11BrO2 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.99425 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 59247-48-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)Br |
| InChIKey | RTXXREYZBOONJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 4-bromobenzoate (CAS 59247-48-2), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: propan-2-yl 4-bromobenzoate.
Chemical Property Profile of Isopropyl 4-bromobenzoate
Property Insights of Isopropyl 4-bromobenzoate
The XLogP value of 3.9 indicates that Isopropyl 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, Isopropyl 4-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl 4-bromobenzoate?
The CAS number of Isopropyl 4-bromobenzoate is 59247-48-2.
What is the molecular formula of Isopropyl 4-bromobenzoate?
The molecular formula of Isopropyl 4-bromobenzoate is C10H11BrO2.
What is the molecular weight of Isopropyl 4-bromobenzoate?
The molecular weight of Isopropyl 4-bromobenzoate is 241.99 g/mol.
Where can I buy Isopropyl 4-bromobenzoate?
You can request a quote for Isopropyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.