(Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
TL;DR: (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 859862-01-4) is a chemical compound with molecular formula C21H18O6 and molecular weight 366.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[6-(2-methylpropanoyloxy)-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: VU0616687-1, (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate, F3385-0444, methyl 4-{[(2Z)-6-[(2-methylpropanoyl)oxy]-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene]methyl}benzoate, methyl 4-[(Z)-[6-(2-methylpropanoyloxy)-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
| Molecular Formula | C21H18O6 |
|---|---|
| Molecular Weight | 366.11 g/mol |
| LogP | 3.6508 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.11035 |
| Heavy Atoms | 27 |
| Complexity | 937.6442 |
Chemical Identifiers
| CAS Number | 859862-01-4 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/O2 |
Product Overview
(Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate (CAS 859862-01-4), with molecular formula C21H18O6 and molecular weight 366.11 g/mol. IUPAC: methyl 4-[(Z)-[6-(2-methylpropanoyloxy)-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
Property Insights of (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate
The XLogP value of 3.6508 indicates that (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate has 0 hydrogen bond donor(s) and 6 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-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The CAS number of (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 859862-01-4.
What is the molecular formula of (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular formula of (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is C21H18O6.
What is the molecular weight of (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
The molecular weight of (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate is 366.11 g/mol.
Where can I buy (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
You can request a quote for (Z)-methyl 4-((6-(isobutyryloxy)-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-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-((6-(isobutyryloxy)-3-oxobenzofuran-2(3H)-ylidene)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.