4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate
TL;DR: 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate (CAS 374546-90-4) is a chemical compound with molecular formula C21H13BrO5S and molecular weight 455.97 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-phenoxyacetate
Also Known As: 4-(4-bromophenyl)-2-oxobenzo[d][1,3]oxathiol-5-yl 2-phenoxyacetate, 4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate, [4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-phenoxyacetate, [2-(4-bromophenyl)-8-oxo-7-oxa-9-thiabicyclo[4.3.0]nona-2,4,10-trien-3-yl] 2-phenoxyacetate
| Molecular Formula | C21H13BrO5S |
|---|---|
| Molecular Weight | 455.97 g/mol |
| LogP | 5.2684 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.9667 |
| Heavy Atoms | 28 |
| Complexity | 1179.128 |
Chemical Identifiers
| CAS Number | 374546-90-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)OC2=C(C3=C(C=C2)OC(=O)S3)C4=CC=C(C=C4)Br |
Product Overview
4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate (CAS 374546-90-4), with molecular formula C21H13BrO5S and molecular weight 455.97 g/mol. IUPAC: [4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-phenoxyacetate.
Chemical Property Profile of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate
Property Insights of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate
The XLogP value of 5.2684 indicates that 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate 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 phenoxyacetate. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate 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 phenoxyacetate?
The CAS number of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate is 374546-90-4.
What is the molecular formula of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate?
The molecular formula of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate is C21H13BrO5S.
What is the molecular weight of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate?
The molecular weight of 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate is 455.97 g/mol.
Where can I buy 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate?
You can request a quote for 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate 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 phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.