(Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate
TL;DR: (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate (CAS 845900-94-9) is a chemical compound with molecular formula C22H16O6S and molecular weight 408.07 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] 3,4-dimethoxybenzoate
Also Known As: (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate, F3139-1961, (2Z)-3-oxo-2-[(thiophen-2-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 3,4-dimethoxybenzoate, [(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 3,4-dimethoxybenzoate, 3-oxo-2-(2-thienylmethylene)benzo[3,4-b]furan-6-yl 3,4-dimethoxybenzoate
| Molecular Formula | C22H16O6S |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | 4.6007 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.06677 |
| Heavy Atoms | 29 |
| Complexity | 1114.336 |
Chemical Identifiers
| CAS Number | 845900-94-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=CS4)/O3)OC |
Product Overview
(Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate (CAS 845900-94-9), with molecular formula C22H16O6S and molecular weight 408.07 g/mol. IUPAC: [(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl] 3,4-dimethoxybenzoate.
Chemical Property Profile of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate
Property Insights of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate
The XLogP value of 4.6007 indicates that (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate 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 3,4-dimethoxybenzoate?
The CAS number of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate is 845900-94-9.
What is the molecular formula of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate?
The molecular formula of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate is C22H16O6S.
What is the molecular weight of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate?
The molecular weight of (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate is 408.07 g/mol.
Where can I buy (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate?
You can request a quote for (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate 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 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.