4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
TL;DR: 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate (CAS 372497-48-8) is a chemical compound with molecular formula C21H12BrClO5S and molecular weight 489.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(4-chlorophenoxy)acetate
Also Known As: 4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate, [4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(4-chlorophenoxy)acetate, 4-(4-BROMOPHENYL)-2-OXO-2H-1,3-BENZOXATHIOL-5-YL 2-(4-CHLOROPHENOXY)ACETATE, 4-(4-bromophenyl)-2-oxobenzo[d][1,3]oxathiol-5-yl 2-(4-chlorophenoxy)acetate
| Molecular Formula | C21H12BrClO5S |
|---|---|
| Molecular Weight | 489.93 g/mol |
| LogP | 5.9218 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.92773 |
| Heavy Atoms | 29 |
| Complexity | 1228.904 |
Chemical Identifiers
| CAS Number | 372497-48-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C=CC3=C2SC(=O)O3)OC(=O)COC4=CC=C(C=C4)Cl)Br |
Product Overview
4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate (CAS 372497-48-8), with molecular formula C21H12BrClO5S and molecular weight 489.93 g/mol. IUPAC: [4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
Property Insights of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate
The XLogP value of 5.9218 indicates that 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate?
The CAS number of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate is 372497-48-8.
What is the molecular formula of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate?
The molecular formula of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate is C21H12BrClO5S.
What is the molecular weight of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate?
The molecular weight of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate is 489.93 g/mol.
Where can I buy 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate?
You can request a quote for 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (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-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.