(Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate
TL;DR: (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate (CAS 714941-36-3) is a chemical compound with molecular formula C20H11NO6S and molecular weight 393.03 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] 4-nitrobenzoate
Also Known As: (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate, [(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 4-nitrobenzoate, F3385-0470, (2Z)-3-oxo-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-nitrobenzoate, 3-oxo-2-(2-thienylmethylene)benzo[3,4-b]furan-6-yl 4-nitrobenzoate
| Molecular Formula | C20H11NO6S |
|---|---|
| Molecular Weight | 393.03 g/mol |
| LogP | 4.4917 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.0307 |
| Heavy Atoms | 28 |
| Complexity | 1116.1075 |
Chemical Identifiers
| CAS Number | 714941-36-3 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate (CAS 714941-36-3), with molecular formula C20H11NO6S and molecular weight 393.03 g/mol. IUPAC: [(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 4-nitrobenzoate.
Chemical Property Profile of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate
Property Insights of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate
The XLogP value of 4.4917 indicates that (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 7 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)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate?
The CAS number of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate is 714941-36-3.
What is the molecular formula of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate?
The molecular formula of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate is C20H11NO6S.
What is the molecular weight of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate?
The molecular weight of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate is 393.03 g/mol.
Where can I buy (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate?
You can request a quote for (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.