(Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate
TL;DR: (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate (CAS 622791-20-2) is a chemical compound with molecular formula C21H19NO4 and molecular weight 349.13 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] cyclohexanecarboxylate
Also Known As: (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate, F3385-0308, (2Z)-3-oxo-2-[(pyridin-3-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate, [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] cyclohexanecarboxylate, 3-oxo-2-(3-pyridylmethylene)benzo[3,4-b]furan-6-yl cyclohexanecarboxylate
| Molecular Formula | C21H19NO4 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 4.1835 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.1314 |
| Heavy Atoms | 26 |
| Complexity | 866.8347 |
Chemical Identifiers
| CAS Number | 622791-20-2 |
|---|---|
| SMILES | C1CCC(CC1)C(=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 cyclohexanecarboxylate (CAS 622791-20-2), with molecular formula C21H19NO4 and molecular weight 349.13 g/mol. IUPAC: [(2Z)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] cyclohexanecarboxylate.
Chemical Property Profile of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate
Property Insights of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate
The XLogP value of 4.1835 indicates that (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate 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)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate?
The CAS number of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate is 622791-20-2.
What is the molecular formula of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate?
The molecular formula of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate is C21H19NO4.
What is the molecular weight of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate?
The molecular weight of (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate is 349.13 g/mol.
Where can I buy (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate?
You can request a quote for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate 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 cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-oxo-2-(pyridin-3-ylmethylene)-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.