4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
TL;DR: 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate (CAS 381699-04-3) is a chemical compound with molecular formula C22H15BrO6S and molecular weight 485.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(4-bromophenoxy)acetate
Also Known As: 4-(4-methoxyphenyl)-2-oxobenzo[d][1,3]oxathiol-5-yl 2-(4-bromophenoxy)acetate, 4-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate, [4-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(4-bromophenoxy)acetate, 4-(4-METHOXYPHENYL)-2-OXO-2H-1,3-BENZOXATHIOL-5-YL 2-(4-BROMOPHENOXY)ACETATE
| Molecular Formula | C22H15BrO6S |
|---|---|
| Molecular Weight | 485.98 g/mol |
| LogP | 5.277 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.97726 |
| Heavy Atoms | 30 |
| Complexity | 1241.6044 |
Chemical Identifiers
| CAS Number | 381699-04-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C=CC3=C2SC(=O)O3)OC(=O)COC4=CC=C(C=C4)Br |
Product Overview
4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate (CAS 381699-04-3), with molecular formula C22H15BrO6S and molecular weight 485.98 g/mol. IUPAC: [4-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl] 2-(4-bromophenoxy)acetate.
Chemical Property Profile of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
Property Insights of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
The XLogP value of 5.277 indicates that 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate. Following Lipinski's Rule of Five, 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate has 0 hydrogen bond donor(s) and 7 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-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate?
The CAS number of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate is 381699-04-3.
What is the molecular formula of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate?
The molecular formula of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate is C22H15BrO6S.
What is the molecular weight of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate?
The molecular weight of 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate is 485.98 g/mol.
Where can I buy 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate?
You can request a quote for 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (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 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.