Isopropyl 3-bromobenzoate
TL;DR: Isopropyl 3-bromobenzoate (CAS 856253-09-3) 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 3-bromobenzoate
Also Known As: Isopropyl 3-bromobenzoate, isopropyl m-bromobenzoate, Isopropyl 3-bromobenzoate #, propan-2-yl 3-bromobenzoate, 3-Bromobenzoic acid, isopropyl ester
| 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 | 180.0 |
Chemical Identifiers
| CAS Number | 856253-09-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=CC=C1)Br |
| InChIKey | XITGBNKZHSGOJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 3-bromobenzoate (CAS 856253-09-3), with molecular formula C10H11BrO2 and molecular weight 241.99 g/mol. IUPAC: propan-2-yl 3-bromobenzoate.
Chemical Property Profile of Isopropyl 3-bromobenzoate
Property Insights of Isopropyl 3-bromobenzoate
The XLogP value of 3.9 indicates that Isopropyl 3-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 3-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 3-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 3-bromobenzoate?
The CAS number of Isopropyl 3-bromobenzoate is 856253-09-3.
What is the molecular formula of Isopropyl 3-bromobenzoate?
The molecular formula of Isopropyl 3-bromobenzoate is C10H11BrO2.
What is the molecular weight of Isopropyl 3-bromobenzoate?
The molecular weight of Isopropyl 3-bromobenzoate is 241.99 g/mol.
Where can I buy Isopropyl 3-bromobenzoate?
You can request a quote for Isopropyl 3-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 3-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 3-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.