![methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate structure](/static/products/329/329023-71-4.png)
methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
TL;DR: methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate (CAS 329023-71-4) is a chemical compound with molecular formula C18H12ClNO4 and molecular weight 341.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
Also Known As: BAS 00367752, (Z)-methyl 4-((2-(3-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate, methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate, methyl 4-[(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate, METHYL 4-{[(4Z)-2-(3-CHLOROPHENYL)-5-OXO-4,5-DIHYDRO-1,3-OXAZOL-4-YLIDENE]METHYL}BENZOATE
| Molecular Formula | C18H12ClNO4 |
|---|---|
| Molecular Weight | 341.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.04547 |
| Heavy Atoms | 24 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 329023-71-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC(=CC=C3)Cl |
| InChIKey | QDYXBHNRTSJMAB-DHDCSXOGSA-N |
Product Overview
methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate (CAS 329023-71-4), with molecular formula C18H12ClNO4 and molecular weight 341.05 g/mol. IUPAC: methyl 4-[(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate.
Chemical Property Profile of methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
Property Insights of methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
The XLogP value of 4.0 indicates that methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate. Following Lipinski's Rule of Five, methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate has 0 hydrogen bond donor(s) and 5 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 methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate?
The CAS number of methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate is 329023-71-4.
What is the molecular formula of methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate?
The molecular formula of methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate is C18H12ClNO4.
What is the molecular weight of methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate?
The molecular weight of methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate is 341.05 g/mol.
Where can I buy methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate?
You can request a quote for methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-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 methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.