(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate
TL;DR: (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate (CAS 623115-81-1) is a chemical compound with molecular formula C22H14O4S and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate
Also Known As: (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate, (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl cinnamate, [3-oxo-2-(thiophen-2-ylmethylidene)benzofuran-6-yl] 3-phenylprop-2-enoate, [(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate, 3-oxo-2-(2-thienylmethylene)benzo[3,4-b]furan-6-yl (2E)-3-phenylprop-2-enoate
| Molecular Formula | C22H14O4S |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 4.9831 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.06128 |
| Heavy Atoms | 27 |
| Complexity | 1047.1815 |
Chemical Identifiers
| CAS Number | 623115-81-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=CS4)/O3 |
Product Overview
(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate (CAS 623115-81-1), with molecular formula C22H14O4S and molecular weight 374.06 g/mol. IUPAC: [(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate
Property Insights of (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate
The XLogP value of 4.9831 indicates that (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate?
The CAS number of (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate is 623115-81-1.
What is the molecular formula of (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate?
The molecular formula of (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate is C22H14O4S.
What is the molecular weight of (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate?
The molecular weight of (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate is 374.06 g/mol.
Where can I buy (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate?
You can request a quote for (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.