(Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one
TL;DR: (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one (CAS 623121-81-3) is a chemical compound with molecular formula C18H16O3S and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-(3-methylbut-2-enoxy)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one
Also Known As: (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one, F3139-2751, (2Z)-6-[(3-methylbut-2-en-1-yl)oxy]-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one, (2Z)-6-(3-methylbut-2-enoxy)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one, 6-(3-methylbut-2-enoxy)-2-(thiophen-2-ylmethylidene)benzofuran-3-one
| Molecular Formula | C18H16O3S |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 4.7093 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.082 |
| Heavy Atoms | 22 |
| Complexity | 750.6444 |
Chemical Identifiers
| CAS Number | 623121-81-3 |
|---|---|
| SMILES | CC(=CCOC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CS3)/O2)C |
Product Overview
(Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one (CAS 623121-81-3), with molecular formula C18H16O3S and molecular weight 312.08 g/mol. IUPAC: (2Z)-6-(3-methylbut-2-enoxy)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one.
Chemical Property Profile of (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one
Property Insights of (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one
The XLogP value of 4.7093 indicates that (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one has 0 hydrogen bond donor(s) and 4 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 (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one?
The CAS number of (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one is 623121-81-3.
What is the molecular formula of (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one?
The molecular formula of (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one is C18H16O3S.
What is the molecular weight of (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one?
The molecular weight of (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one is 312.08 g/mol.
Where can I buy (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one?
You can request a quote for (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-6-((3-methylbut-2-en-1-yl)oxy)-2-(thiophen-2-ylmethylene)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.