(Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile
TL;DR: (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile (CAS 844850-99-3) is a chemical compound with molecular formula C15H9NO3S and molecular weight 283.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetonitrile
Also Known As: (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile, F3139-2249, 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetonitrile, 2-{[(2Z)-3-oxo-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl]oxy}acetonitrile, 2-[3-oxo-2-(2-thienylmethylene)benzo[3,4-b]furan-6-yloxy]ethanenitrile
| Molecular Formula | C15H9NO3S |
|---|---|
| Molecular Weight | 283.03 g/mol |
| LogP | 3.26668 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0303 |
| Heavy Atoms | 20 |
| Complexity | 726.0721 |
Chemical Identifiers
| CAS Number | 844850-99-3 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC#N |
Product Overview
(Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile (CAS 844850-99-3), with molecular formula C15H9NO3S and molecular weight 283.03 g/mol. IUPAC: 2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetonitrile.
Chemical Property Profile of (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile
Property Insights of (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile
The XLogP value of 3.26668 indicates that (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile 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 (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile?
The CAS number of (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile is 844850-99-3.
What is the molecular formula of (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile?
The molecular formula of (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile is C15H9NO3S.
What is the molecular weight of (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile?
The molecular weight of (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile is 283.03 g/mol.
Where can I buy (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile?
You can request a quote for (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile 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-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.