C22H15BrO4S
TL;DR: C22H15BrO4S (CAS 622796-13-8) is a chemical compound with molecular formula C22H15BrO4S and molecular weight 453.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one
Also Known As: (Z)-6-(2-(4-bromophenyl)-2-oxoethoxy)-2-((3-methylthiophen-2-yl)methylene)benzofuran-3(2H)-one, 6-[2-(4-bromophenyl)-2-oxo-ethoxy]-2-[(3-methylthiophen-2-yl)methylidene]benzofuran-3-one, 6-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(3-methyl(2-thienyl))methylene]benzo[b]fu ran-3-one, (2Z)-6-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3(2H)-one, (2Z)-6-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one
| Molecular Formula | C22H15BrO4S |
|---|---|
| Molecular Weight | 453.99 g/mol |
| LogP | 5.69692 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.98743 |
| Heavy Atoms | 28 |
| Complexity | 1095.9795 |
Chemical Identifiers
| CAS Number | 622796-13-8 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC(=O)C4=CC=C(C=C4)Br |
Product Overview
C22H15BrO4S (CAS 622796-13-8), with molecular formula C22H15BrO4S and molecular weight 453.99 g/mol. IUPAC: (2Z)-6-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one.
Chemical Property Profile of C22H15BrO4S
Property Insights of C22H15BrO4S
The XLogP value of 5.69692 indicates that C22H15BrO4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, C22H15BrO4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H15BrO4S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H15BrO4S?
The CAS number of C22H15BrO4S is 622796-13-8.
What is the molecular formula of C22H15BrO4S?
The molecular formula of C22H15BrO4S is C22H15BrO4S.
What is the molecular weight of C22H15BrO4S?
The molecular weight of C22H15BrO4S is 453.99 g/mol.
Where can I buy C22H15BrO4S?
You can request a quote for C22H15BrO4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H15BrO4S?
Yes, KEHONG BIO provides custom synthesis services for C22H15BrO4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.