(Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
TL;DR: (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 896599-70-5) is a chemical compound with molecular formula C26H23NO5 and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[7-[[benzyl(methyl)amino]methyl]-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, methyl 4-[(6-hydroxy-7-{[methylbenzylamino]methyl}-3-oxobenzo[d]furan-2-yliden e)methyl]benzoate, methyl 4-[(Z)-[7-[[benzyl(methyl)amino]methyl]-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate, Methyl 4-[[7-[(benzyl-methyl-amino)methyl]-6-hydroxy-3-oxo-benzofuran-2-ylidene]methyl]benzoate, methyl 4-{(Z)-[7-{[benzyl(methyl)amino]methyl}-6-hydroxy-3-oxo-1-benzofuran-2(3H)-ylidene]methyl}benzoate
| Molecular Formula | C26H23NO5 |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 4.427 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.15762 |
| Heavy Atoms | 32 |
| Complexity | 1182.844 |
Chemical Identifiers
| CAS Number | 896599-70-5 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)C(=O)OC)/C3=O)O |
Product Overview
(Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 896599-70-5), with molecular formula C26H23NO5 and molecular weight 429.16 g/mol. IUPAC: methyl 4-[(Z)-[7-[[benzyl(methyl)amino]methyl]-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
Property Insights of (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
The XLogP value of 4.427 indicates that (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate has 1 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)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The CAS number of (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 896599-70-5.
What is the molecular formula of (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular formula of (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is C26H23NO5.
What is the molecular weight of (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular weight of (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 429.16 g/mol.
Where can I buy (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
You can request a quote for (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((7-((benzyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.