(Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
TL;DR: (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 623117-74-8) is a chemical compound with molecular formula C23H22O7 and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, VU0617582-1, F3385-5422, methyl 4-{[(2Z)-6-[2-(tert-butoxy)-2-oxoethoxy]-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}benzoate, methyl 4-[(Z)-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
| Molecular Formula | C23H22O7 |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 3.8099 |
| Topological Polar Surface Area | 88.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.13657 |
| Heavy Atoms | 30 |
| Complexity | 1010.8374 |
Chemical Identifiers
| CAS Number | 623117-74-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/O2 |
Product Overview
(Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 623117-74-8), with molecular formula C23H22O7 and molecular weight 410.14 g/mol. IUPAC: methyl 4-[(Z)-[6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
Property Insights of (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
The XLogP value of 3.8099 indicates that (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.13 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate has 0 hydrogen bond donor(s) and 7 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-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The CAS number of (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 623117-74-8.
What is the molecular formula of (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular formula of (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is C23H22O7.
What is the molecular weight of (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular weight of (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 410.14 g/mol.
Where can I buy (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
You can request a quote for (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-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-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((6-(2-(tert-butoxy)-2-oxoethoxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.