(Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
TL;DR: (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 847159-42-6) is a chemical compound with molecular formula C24H17FO5 and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[6-[(2-fluorophenyl)methoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, methyl 4-({6-[(2-fluorophenyl)methoxy]-3-oxobenzo[d]furan-2-ylidene}methyl)ben zoate, methyl 4-[(Z)-[6-[(2-fluorophenyl)methoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate, methyl 4-[(Z)-{6-[(2-fluorobenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-ylidene}methyl]benzoate
| Molecular Formula | C24H17FO5 |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 4.8075 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.106 |
| Heavy Atoms | 30 |
| Complexity | 1148.5128 |
Chemical Identifiers
| CAS Number | 847159-42-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OCC4=CC=CC=C4F |
Product Overview
(Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 847159-42-6), with molecular formula C24H17FO5 and molecular weight 404.11 g/mol. IUPAC: methyl 4-[(Z)-[6-[(2-fluorophenyl)methoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
Property Insights of (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
The XLogP value of 4.8075 indicates that (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate has 0 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 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The CAS number of (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 847159-42-6.
What is the molecular formula of (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular formula of (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is C24H17FO5.
What is the molecular weight of (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular weight of (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 404.11 g/mol.
Where can I buy (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
You can request a quote for (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-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-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((6-((2-fluorobenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.