2-Chlorophenyl (4-bromophenoxy)acetate
TL;DR: 2-Chlorophenyl (4-bromophenoxy)acetate (CAS 496033-91-1) is a chemical compound with molecular formula C14H10BrClO3 and molecular weight 339.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl) 2-(4-bromophenoxy)acetate
Also Known As: 2-chlorophenyl (4-bromophenoxy)acetate, 2-chlorophenyl 2-(4-bromophenoxy)acetate, (2-chlorophenyl) 2-(4-bromophenoxy)acetate
| Molecular Formula | C14H10BrClO3 |
|---|---|
| Molecular Weight | 339.95 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.95016 |
| Heavy Atoms | 19 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 496033-91-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OC(=O)COC2=CC=C(C=C2)Br)Cl |
| InChIKey | YWSMNCHKAZCSMW-UHFFFAOYSA-N |
Product Overview
2-Chlorophenyl (4-bromophenoxy)acetate (CAS 496033-91-1), with molecular formula C14H10BrClO3 and molecular weight 339.95 g/mol. IUPAC: (2-chlorophenyl) 2-(4-bromophenoxy)acetate.
Chemical Property Profile of 2-Chlorophenyl (4-bromophenoxy)acetate
Property Insights of 2-Chlorophenyl (4-bromophenoxy)acetate
The XLogP value of 4.6 indicates that 2-Chlorophenyl (4-bromophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Chlorophenyl (4-bromophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenyl (4-bromophenoxy)acetate has 0 hydrogen bond donor(s) and 3 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 2-Chlorophenyl (4-bromophenoxy)acetate?
The CAS number of 2-Chlorophenyl (4-bromophenoxy)acetate is 496033-91-1.
What is the molecular formula of 2-Chlorophenyl (4-bromophenoxy)acetate?
The molecular formula of 2-Chlorophenyl (4-bromophenoxy)acetate is C14H10BrClO3.
What is the molecular weight of 2-Chlorophenyl (4-bromophenoxy)acetate?
The molecular weight of 2-Chlorophenyl (4-bromophenoxy)acetate is 339.95 g/mol.
Where can I buy 2-Chlorophenyl (4-bromophenoxy)acetate?
You can request a quote for 2-Chlorophenyl (4-bromophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorophenyl (4-bromophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl (4-bromophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.