(Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate
TL;DR: (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate (CAS 1164521-18-9) is a chemical compound with molecular formula C21H15NO6S and molecular weight 409.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methoxybenzenesulfonate
Also Known As: (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate, VU0160255-4, [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methoxybenzenesulfonate, (2Z)-3-oxo-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 4-methoxybenzene-1-sulfonate, 3-oxo-2-(3-pyridylmethylene)benzo[3,4-b]furan-6-yl 4-methoxybenzenesulfonate
| Molecular Formula | C21H15NO6S |
|---|---|
| Molecular Weight | 409.06 g/mol |
| LogP | 3.4741 |
| Topological Polar Surface Area | 91.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.062 |
| Heavy Atoms | 29 |
| Complexity | 1201.6786 |
Chemical Identifiers
| CAS Number | 1164521-18-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CN=CC=C4)/O3 |
Product Overview
(Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate (CAS 1164521-18-9), with molecular formula C21H15NO6S and molecular weight 409.06 g/mol. IUPAC: [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] 4-methoxybenzenesulfonate.
Chemical Property Profile of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate
Property Insights of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate
The XLogP value of 3.4741 indicates that (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate 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-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate?
The CAS number of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate is 1164521-18-9.
What is the molecular formula of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate?
The molecular formula of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate is C21H15NO6S.
What is the molecular weight of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate?
The molecular weight of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate is 409.06 g/mol.
Where can I buy (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate?
You can request a quote for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate 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-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl 4-methoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.