(Z)-methyl 4-((7-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
TL;DR: (Z)-methyl 4-((7-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 896812-97-8) is a chemical compound with molecular formula C23H25NO5 and molecular weight 395.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[7-[[butyl(methyl)amino]methyl]-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: (Z)-methyl 4-((7-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, methyl 4-[(Z)-[7-[[butyl(methyl)amino]methyl]-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate, methyl 4-{(Z)-[7-{[butyl(methyl)amino]methyl}-6-hydroxy-3-oxo-1-benzofuran-2(3H)-ylidene]methyl}benzoate, methyl 4-({7-[(butylmethylamino)methyl]-6-hydroxy-3-oxobenzo[d]furan-2-ylidene }methyl)benzoate, Methyl 4-[[7-[(butyl-methyl-amino)methyl]-6-hydroxy-3-oxo-benzofuran-2-ylidene]methyl]benzoate
| Molecular Formula | C23H25NO5 |
|---|---|
| Molecular Weight | 395.17 g/mol |
| LogP | 4.0269 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.17328 |
| Heavy Atoms | 29 |
| Complexity | 946.4857 |
Chemical Identifiers
| CAS Number | 896812-97-8 |
|---|---|
| SMILES | CCCCN(C)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(C=C3)C(=O)OC)/C2=O)O |
Product Overview
(Z)-methyl 4-((7-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 896812-97-8), with molecular formula C23H25NO5 and molecular weight 395.17 g/mol. IUPAC: methyl 4-[(Z)-[7-[[butyl(methyl)amino]methyl]-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of (Z)-methyl 4-((7-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
Property Insights of (Z)-methyl 4-((7-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
The XLogP value of 4.0269 indicates that (Z)-methyl 4-((7-((butyl(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-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((7-((butyl(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-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The CAS number of (Z)-methyl 4-((7-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 896812-97-8.
What is the molecular formula of (Z)-methyl 4-((7-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular formula of (Z)-methyl 4-((7-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is C23H25NO5.
What is the molecular weight of (Z)-methyl 4-((7-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular weight of (Z)-methyl 4-((7-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 395.17 g/mol.
Where can I buy (Z)-methyl 4-((7-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
You can request a quote for (Z)-methyl 4-((7-((butyl(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-((butyl(methyl)amino)methyl)-6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((7-((butyl(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.