![[4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate structure](/static/products/4452/445287-06-9.webp)
[4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate
TL;DR: [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate (CAS 445287-06-9) is a chemical compound with molecular formula C21H17ClN2O7 and molecular weight 444.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate
Also Known As: [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate, 4-[(2-{2-chloro-4-nitrophenyl}-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]-2-methoxyphenyl 2-methylpropanoate, (E)-4-((2-(2-chloro-4-nitrophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)-2-methoxyphenyl isobutyrate, 4-{(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-2-methoxyphenyl 2-methylpropanoate, 4-{[2-(2-CHLORO-4-NITROPHENYL)-5-OXO-1,3-OXAZOL-4(5H)-YLIDEN]METHYL}-2-METHOXYPHENYL 2-METHYLPROPANOATE
| Molecular Formula | C21H17ClN2O7 |
|---|---|
| Molecular Weight | 444.07 g/mol |
| LogP | 4.1627 |
| Topological Polar Surface Area | 117.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.07242 |
| Heavy Atoms | 31 |
| Complexity | 1138.5433 |
Chemical Identifiers
| CAS Number | 445287-06-9 |
|---|---|
| SMILES | CC(C)C(=O)OC1=C(C=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC |
Product Overview
[4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate (CAS 445287-06-9), with molecular formula C21H17ClN2O7 and molecular weight 444.07 g/mol. IUPAC: [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate.
Chemical Property Profile of [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate
Property Insights of [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate
The XLogP value of 4.1627 indicates that [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.33 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate. Following Lipinski's Rule of Five, [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate has 0 hydrogen bond donor(s) and 8 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 [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate?
The CAS number of [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate is 445287-06-9.
What is the molecular formula of [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate?
The molecular formula of [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate is C21H17ClN2O7.
What is the molecular weight of [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate?
The molecular weight of [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate is 444.07 g/mol.
Where can I buy [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate?
You can request a quote for [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.