(Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate
TL;DR: (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate (CAS 896804-08-3) is a chemical compound with molecular formula C21H15NO5S and molecular weight 393.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate
Also Known As: (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate, F3385-2479, (2Z)-3-oxo-2-[(pyridin-4-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzene-1-sulfonate, [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate, 3-oxo-2-(4-pyridylmethylene)benzo[3,4-b]furan-6-yl 4-methylbenzenesulfonate
| Molecular Formula | C21H15NO5S |
|---|---|
| Molecular Weight | 393.07 g/mol |
| LogP | 3.77392 |
| Topological Polar Surface Area | 82.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.0671 |
| Heavy Atoms | 28 |
| Complexity | 1183.2255 |
Chemical Identifiers
| CAS Number | 896804-08-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3 |
Product Overview
(Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate (CAS 896804-08-3), with molecular formula C21H15NO5S and molecular weight 393.07 g/mol. IUPAC: [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate
Property Insights of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate
The XLogP value of 3.77392 indicates that (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 6 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-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate?
The CAS number of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate is 896804-08-3.
What is the molecular formula of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate?
The molecular formula of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate is C21H15NO5S.
What is the molecular weight of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate?
The molecular weight of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate is 393.07 g/mol.
Where can I buy (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate?
You can request a quote for (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate 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-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.