(Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one
TL;DR: (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one (CAS 896076-53-2) is a chemical compound with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-7-[[bis(2-methylpropyl)amino]methyl]-6-hydroxy-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one
Also Known As: (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one, F3385-2724, (2Z)-7-{[bis(2-methylpropyl)amino]methyl}-6-hydroxy-2-[(pyridin-4-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one, (2Z)-7-[[bis(2-methylpropyl)amino]methyl]-6-hydroxy-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one, 7-[(bis(2-methylpropyl)amino)methyl]-6-hydroxy-2-(pyridin-4-ylmethylidene)benzofuran-3-one
| Molecular Formula | C23H28N2O3 |
|---|---|
| Molecular Weight | 380.21 g/mol |
| LogP | 4.5174 |
| Topological Polar Surface Area | 62.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.21 |
| Heavy Atoms | 28 |
| Complexity | 862.9162 |
Chemical Identifiers
| CAS Number | 896076-53-2 |
|---|---|
| SMILES | CC(C)CN(CC1=C(C=CC2=C1O/C(=C\C3=CC=NC=C3)/C2=O)O)CC(C)C |
Product Overview
(Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one (CAS 896076-53-2), with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol. IUPAC: (2Z)-7-[[bis(2-methylpropyl)amino]methyl]-6-hydroxy-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one.
Chemical Property Profile of (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one
Property Insights of (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one
The XLogP value of 4.5174 indicates that (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one. Following Lipinski's Rule of Five, (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one has 1 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)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one?
The CAS number of (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one is 896076-53-2.
What is the molecular formula of (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one?
The molecular formula of (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one is C23H28N2O3.
What is the molecular weight of (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one?
The molecular weight of (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one is 380.21 g/mol.
Where can I buy (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one?
You can request a quote for (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-7-((diisobutylamino)methyl)-6-hydroxy-2-(pyridin-4-ylmethylene)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.