(Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one
TL;DR: (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one (CAS 896076-89-4) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one
Also Known As: (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one, (2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-3-one, (2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one, 7-Dimethylaminomethyl-6-hydroxy-2-[(E)-3-(2-methoxy-phenyl)-prop-2-en-(Z)-ylidene]-benzofuran-3-on e, 7-(dimethylaminomethyl)-6-hydroxy-2-[3-(2-methoxyphenyl)prop-2-enylidene]benzofuran-3-one
| Molecular Formula | C21H21NO4 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 3.6348 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.14706 |
| Heavy Atoms | 26 |
| Complexity | 896.8793 |
Chemical Identifiers
| CAS Number | 896076-89-4 |
|---|---|
| SMILES | CN(C)CC1=C(C=CC2=C1O/C(=C\C=C\C3=CC=CC=C3OC)/C2=O)O |
Product Overview
(Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one (CAS 896076-89-4), with molecular formula C21H21NO4 and molecular weight 351.15 g/mol. IUPAC: (2Z)-7-[(dimethylamino)methyl]-6-hydroxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-1-benzofuran-3-one.
Chemical Property Profile of (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one
Property Insights of (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one
The XLogP value of 3.6348 indicates that (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)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-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one?
The CAS number of (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one is 896076-89-4.
What is the molecular formula of (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one?
The molecular formula of (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one is C21H21NO4.
What is the molecular weight of (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one?
The molecular weight of (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one is 351.15 g/mol.
Where can I buy (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one?
You can request a quote for (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)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-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-7-((dimethylamino)methyl)-6-hydroxy-2-((E)-3-(2-methoxyphenyl)allylidene)benzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.