(Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
TL;DR: (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 869078-35-3) is a chemical compound with molecular formula C23H24N2O5 and molecular weight 408.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, F1860-0418, methyl 4-{[(2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}benzoate, methyl 4-[(Z)-[6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate, methyl 4-({6-hydroxy-7-[(4-methylpiperazinyl)methyl]-3-oxobenzo[d]furan-2-ylid ene}methyl)benzoate
| Molecular Formula | C23H24N2O5 |
|---|---|
| Molecular Weight | 408.17 g/mol |
| LogP | 2.5424 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.16852 |
| Heavy Atoms | 30 |
| Complexity | 1004.99866 |
Chemical Identifiers
| CAS Number | 869078-35-3 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)C(=O)OC)/C3=O)O |
Product Overview
(Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 869078-35-3), with molecular formula C23H24N2O5 and molecular weight 408.17 g/mol. IUPAC: methyl 4-[(Z)-[6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
Property Insights of (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
The XLogP value of 2.5424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate has 1 hydrogen bond donor(s) and 7 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-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The CAS number of (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 869078-35-3.
What is the molecular formula of (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular formula of (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is C23H24N2O5.
What is the molecular weight of (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular weight of (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 408.17 g/mol.
Where can I buy (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
You can request a quote for (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-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-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((6-hydroxy-7-((4-methylpiperazin-1-yl)methyl)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.