![Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate structure](/static/products/1024/1024712-89-7.webp)
Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate
TL;DR: Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate (CAS 1024712-89-7) is a chemical compound with molecular formula C21H17NO6 and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
Also Known As: Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate, Propyl 4-[(2-benzo[1,3]dioxol-5-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]benzoate, propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate, Propyl 4-{[2-(2H-1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
| Molecular Formula | C21H17NO6 |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 3.3266 |
| Topological Polar Surface Area | 83.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.1056 |
| Heavy Atoms | 28 |
| Complexity | 990.45544 |
Chemical Identifiers
| CAS Number | 1024712-89-7 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC4=C(C=C3)OCO4 |
Product Overview
Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate (CAS 1024712-89-7), with molecular formula C21H17NO6 and molecular weight 379.11 g/mol. IUPAC: propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate.
Chemical Property Profile of Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate
Property Insights of Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate
The XLogP value of 3.3266 indicates that Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate. Following Lipinski's Rule of Five, Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]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 Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate?
The CAS number of Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate is 1024712-89-7.
What is the molecular formula of Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate?
The molecular formula of Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate is C21H17NO6.
What is the molecular weight of Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate?
The molecular weight of Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate is 379.11 g/mol.
Where can I buy Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate?
You can request a quote for Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-[[2-(1,3-benzodioxol-5-yl)-5-oxo-4(5H)-oxazolylidene]methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.