C20H11BrO4S
TL;DR: C20H11BrO4S (CAS 622362-17-8) is a chemical compound with molecular formula C20H11BrO4S and molecular weight 425.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate
Also Known As: (2Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl thiophene-2-carboxylate, (Z)-2-(2-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate, [(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate, [2-[(2-bromophenyl)methylidene]-3-oxo-benzofuran-6-yl] Thiophene-2-carboxylate, 2-[(2-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl thiophene-2-carboxyla te
| Molecular Formula | C20H11BrO4S |
|---|---|
| Molecular Weight | 425.96 g/mol |
| LogP | 5.346 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.95615 |
| Heavy Atoms | 26 |
| Complexity | 1037.7246 |
Chemical Identifiers
| CAS Number | 622362-17-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CS4)Br |
Product Overview
C20H11BrO4S (CAS 622362-17-8), with molecular formula C20H11BrO4S and molecular weight 425.96 g/mol. IUPAC: [(2Z)-2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate.
Chemical Property Profile of C20H11BrO4S
Property Insights of C20H11BrO4S
The XLogP value of 5.346 indicates that C20H11BrO4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, C20H11BrO4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H11BrO4S 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 C20H11BrO4S?
The CAS number of C20H11BrO4S is 622362-17-8.
What is the molecular formula of C20H11BrO4S?
The molecular formula of C20H11BrO4S is C20H11BrO4S.
What is the molecular weight of C20H11BrO4S?
The molecular weight of C20H11BrO4S is 425.96 g/mol.
Where can I buy C20H11BrO4S?
You can request a quote for C20H11BrO4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H11BrO4S?
Yes, KEHONG BIO provides custom synthesis services for C20H11BrO4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.