(Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
TL;DR: (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 858762-26-2) is a chemical compound with molecular formula C26H22O5 and molecular weight 414.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[6-[(2,5-dimethylphenyl)methoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, methyl 4-({6-[(2,5-dimethylphenyl)methoxy]-3-oxobenzo[d]furan-2-ylidene}methyl )benzoate, methyl 4-[(Z)-[6-[(2,5-dimethylphenyl)methoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate, methyl 4-[(Z)-{6-[(2,5-dimethylbenzyl)oxy]-3-oxo-1-benzofuran-2(3H)-ylidene}methyl]benzoate
| Molecular Formula | C26H22O5 |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 5.28524 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.14673 |
| Heavy Atoms | 31 |
| Complexity | 1188.9192 |
Chemical Identifiers
| CAS Number | 858762-26-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)COC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=C(C=C4)C(=O)OC)/O3 |
Product Overview
(Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 858762-26-2), with molecular formula C26H22O5 and molecular weight 414.15 g/mol. IUPAC: methyl 4-[(Z)-[6-[(2,5-dimethylphenyl)methoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
Property Insights of (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
The XLogP value of 5.28524 indicates that (Z)-methyl 4-((6-((2,5-dimethylbenzyl)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-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The CAS number of (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 858762-26-2.
What is the molecular formula of (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular formula of (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is C26H22O5.
What is the molecular weight of (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular weight of (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 414.15 g/mol.
Where can I buy (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
You can request a quote for (Z)-methyl 4-((6-((2,5-dimethylbenzyl)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-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((6-((2,5-dimethylbenzyl)oxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.