(Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
TL;DR: (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 896596-22-8) is a chemical compound with molecular formula C24H27NO7 and molecular weight 441.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[7-[[bis(2-methoxyethyl)amino]methyl]-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, methyl 4-[(Z)-[7-[[bis(2-methoxyethyl)amino]methyl]-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate, methyl 4-{(Z)-[7-{[bis(2-methoxyethyl)amino]methyl}-6-hydroxy-3-oxo-1-benzofuran-2(3H)-ylidene]methyl}benzoate, methyl 4-[(7-{[bis(2-methoxyethyl)amino]methyl}-6-hydroxy-3-oxobenzo[d]furan-2 -ylidene)methyl]benzoate
| Molecular Formula | C24H27NO7 |
|---|---|
| Molecular Weight | 441.18 g/mol |
| LogP | 2.8898 |
| Topological Polar Surface Area | 94.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 441.17874 |
| Heavy Atoms | 32 |
| Complexity | 990.15247 |
Chemical Identifiers
| CAS Number | 896596-22-8 |
|---|---|
| SMILES | COCCN(CCOC)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(C=C3)C(=O)OC)/C2=O)O |
Product Overview
(Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 896596-22-8), with molecular formula C24H27NO7 and molecular weight 441.18 g/mol. IUPAC: methyl 4-[(Z)-[7-[[bis(2-methoxyethyl)amino]methyl]-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
Property Insights of (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
The XLogP value of 2.8898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. The TPSA of 94.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate has 1 hydrogen bond donor(s) and 8 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-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The CAS number of (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 896596-22-8.
What is the molecular formula of (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular formula of (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is C24H27NO7.
What is the molecular weight of (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular weight of (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 441.18 g/mol.
Where can I buy (Z)-methyl 4-((7-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
You can request a quote for (Z)-methyl 4-((7-((bis(2-methoxyethyl)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-((bis(2-methoxyethyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((7-((bis(2-methoxyethyl)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.