4-Bromophenyl chloroacetate
TL;DR: 4-Bromophenyl chloroacetate (CAS 36559-93-0) is a chemical compound with molecular formula C8H6BrClO2 and molecular weight 247.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl) 2-chloroacetate
Also Known As: 4-bromophenyl chloroacetate, 4-BROMOPHENYL 2-CHLOROACETATE, (4-bromophenyl) 2-chloroacetate, 4-bromophenylchloroacetate, Acetic acid, chloro-, 4-bromophenyl ester
| Molecular Formula | C8H6BrClO2 |
|---|---|
| Molecular Weight | 247.92 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.92397 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 36559-93-0 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=O)CCl)Br |
| InChIKey | IIGDPPSONJMDRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromophenyl chloroacetate (CAS 36559-93-0), with molecular formula C8H6BrClO2 and molecular weight 247.92 g/mol. IUPAC: (4-bromophenyl) 2-chloroacetate.
Chemical Property Profile of 4-Bromophenyl chloroacetate
Property Insights of 4-Bromophenyl chloroacetate
The XLogP value of 3.0 indicates that 4-Bromophenyl chloroacetate 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 chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl chloroacetate 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 chloroacetate?
The CAS number of 4-Bromophenyl chloroacetate is 36559-93-0.
What is the molecular formula of 4-Bromophenyl chloroacetate?
The molecular formula of 4-Bromophenyl chloroacetate is C8H6BrClO2.
What is the molecular weight of 4-Bromophenyl chloroacetate?
The molecular weight of 4-Bromophenyl chloroacetate is 247.92 g/mol.
Where can I buy 4-Bromophenyl chloroacetate?
You can request a quote for 4-Bromophenyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.