(Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate
TL;DR: (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate (CAS 622790-44-7) is a chemical compound with molecular formula C25H22O4S and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate
Also Known As: (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate, 2-[(3-methyl(2-thienyl))methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-(tert-butyl)b enzoate, (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-tert-butylbenzoate, [(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate
| Molecular Formula | C25H22O4S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 6.18942 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.12387 |
| Heavy Atoms | 30 |
| Complexity | 1160.6045 |
Chemical Identifiers
| CAS Number | 622790-44-7 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
(Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate (CAS 622790-44-7), with molecular formula C25H22O4S and molecular weight 418.12 g/mol. IUPAC: [(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate.
Chemical Property Profile of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate
Property Insights of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate
The XLogP value of 6.18942 indicates that (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate 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-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate 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-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate?
The CAS number of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate is 622790-44-7.
What is the molecular formula of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate?
The molecular formula of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate is C25H22O4S.
What is the molecular weight of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate?
The molecular weight of (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate is 418.12 g/mol.
Where can I buy (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate?
You can request a quote for (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-((3-methylthiophen-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-(tert-butyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.