Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
TL;DR: Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 637753-82-3) is a chemical compound with molecular formula C17H12O5 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(6-hydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]benzoate
Also Known As: NCI60_019750, methyl 4-[(Z)-(6-hydroxy-3-oxo-1-benzofuran-2(3H)-ylidene)methyl]benzoate, Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, methyl 4-[(6-hydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]benzoate, methyl 4-[(6-hydroxy-3-oxo-benzofuran-2-ylidene)methyl]benzoate
| Molecular Formula | C17H12O5 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.06848 |
| Heavy Atoms | 22 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 637753-82-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)O |
| InChIKey | WKCCLTCDMHZBDV-UHFFFAOYSA-N |
Product Overview
Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 637753-82-3), with molecular formula C17H12O5 and molecular weight 296.07 g/mol. IUPAC: methyl 4-[(6-hydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]benzoate.
Chemical Property Profile of Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
Property Insights of Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
The XLogP value of 3.1 indicates that Methyl 4-((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 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate 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 Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The CAS number of Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 637753-82-3.
What is the molecular formula of Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular formula of Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is C17H12O5.
What is the molecular weight of Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular weight of Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 296.07 g/mol.
Where can I buy Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
You can request a quote for Methyl 4-((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 Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((6-hydroxy-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.