(Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate
TL;DR: (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate (CAS 71620-36-5) 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 (2Z)-2-[(3-hydroxyphenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylate
Also Known As: AB00686385-01, (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate, F1673-7101, methyl (2Z)-2-[(3-hydroxyphenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylate, methyl (2Z)-2-[(3-hydroxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
| Molecular Formula | C17H12O5 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 2.795 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.06848 |
| Heavy Atoms | 22 |
| Complexity | 804.44666 |
Chemical Identifiers
| CAS Number | 71620-36-5 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)O/C(=C\C3=CC(=CC=C3)O)/C2=O |
Product Overview
(Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate (CAS 71620-36-5), with molecular formula C17H12O5 and molecular weight 296.07 g/mol. IUPAC: methyl (2Z)-2-[(3-hydroxyphenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylate.
Chemical Property Profile of (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate
Property Insights of (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate
The XLogP value of 2.795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate 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 (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate?
The CAS number of (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate is 71620-36-5.
What is the molecular formula of (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate?
The molecular formula of (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate is C17H12O5.
What is the molecular weight of (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate?
The molecular weight of (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate is 296.07 g/mol.
Where can I buy (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate?
You can request a quote for (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-(3-hydroxybenzylidene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.