(Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate
TL;DR: (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate (CAS 622362-41-8) is a chemical compound with molecular formula C24H20O4S and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate
Also Known As: (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate, 2-{[4-(tert-butyl)phenyl]methylene}-3-oxobenzo[3,4-b]furan-6-yl thiophene-2-ca rboxylate, (2Z)-2-(4-tert-butylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl thiophene-2-carboxylate, [(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate
| Molecular Formula | C24H20O4S |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 5.881 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.10822 |
| Heavy Atoms | 29 |
| Complexity | 1100.7825 |
Chemical Identifiers
| CAS Number | 622362-41-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CS4 |
Product Overview
(Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate (CAS 622362-41-8), with molecular formula C24H20O4S and molecular weight 404.11 g/mol. IUPAC: [(2Z)-2-[(4-tert-butylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] thiophene-2-carboxylate.
Chemical Property Profile of (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate
Property Insights of (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate
The XLogP value of 5.881 indicates that (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate 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 (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate?
The CAS number of (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate is 622362-41-8.
What is the molecular formula of (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate?
The molecular formula of (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate is C24H20O4S.
What is the molecular weight of (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate?
The molecular weight of (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate is 404.11 g/mol.
Where can I buy (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate?
You can request a quote for (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-(tert-butyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.