4-Bromophenyl (4-chlorophenoxy)acetate
TL;DR: 4-Bromophenyl (4-chlorophenoxy)acetate (CAS 62095-46-9) 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.
(4-bromophenyl) 2-(4-chlorophenoxy)acetate
Also Known As: 4-bromophenyl (4-chlorophenoxy)acetate, (4-bromophenyl) 2-(4-chlorophenoxy)acetate, 4-bromophenyl 2-(4-chlorophenoxy)acetate, Acetic acid, (4-chlorophenoxy)-, 4-bromophenyl ester, AN-329/11487611
| Molecular Formula | C14H10BrClO3 |
|---|---|
| Molecular Weight | 339.95 g/mol |
| LogP | 4.7 |
| 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 | 284.0 |
Chemical Identifiers
| CAS Number | 62095-46-9 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)OC2=CC=C(C=C2)Br)Cl |
| InChIKey | WZWLTRGOKOKUQU-UHFFFAOYSA-N |
Product Overview
4-Bromophenyl (4-chlorophenoxy)acetate (CAS 62095-46-9), with molecular formula C14H10BrClO3 and molecular weight 339.95 g/mol. IUPAC: (4-bromophenyl) 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of 4-Bromophenyl (4-chlorophenoxy)acetate
Property Insights of 4-Bromophenyl (4-chlorophenoxy)acetate
The XLogP value of 4.7 indicates that 4-Bromophenyl (4-chlorophenoxy)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, 4-Bromophenyl (4-chlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenyl (4-chlorophenoxy)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 4-Bromophenyl (4-chlorophenoxy)acetate?
The CAS number of 4-Bromophenyl (4-chlorophenoxy)acetate is 62095-46-9.
What is the molecular formula of 4-Bromophenyl (4-chlorophenoxy)acetate?
The molecular formula of 4-Bromophenyl (4-chlorophenoxy)acetate is C14H10BrClO3.
What is the molecular weight of 4-Bromophenyl (4-chlorophenoxy)acetate?
The molecular weight of 4-Bromophenyl (4-chlorophenoxy)acetate is 339.95 g/mol.
Where can I buy 4-Bromophenyl (4-chlorophenoxy)acetate?
You can request a quote for 4-Bromophenyl (4-chlorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenyl (4-chlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenyl (4-chlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.