(E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate
TL;DR: (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate (CAS 329023-72-5) 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-[(E)-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate
Also Known As: BAS 00367747, (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate, 4-[2-(4-Chloro-phenyl)-5-oxo-oxazol-4-ylidenemethyl]-benzoic acid methyl ester, methyl 4-[(E)-[2-(4-chlorophenyl)-5-oxo-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 | 555.0 |
Chemical Identifiers
| CAS Number | 329023-72-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=CC=C(C=C3)Cl |
| InChIKey | LYZIPKXZMXPGRC-XNTDXEJSSA-N |
Product Overview
(E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate (CAS 329023-72-5), with molecular formula C18H12ClNO4 and molecular weight 341.05 g/mol. IUPAC: methyl 4-[(E)-[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoate.
Chemical Property Profile of (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate
Property Insights of (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate
The XLogP value of 4.0 indicates that (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-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 (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-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 (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate?
The CAS number of (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate is 329023-72-5.
What is the molecular formula of (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate?
The molecular formula of (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate is C18H12ClNO4.
What is the molecular weight of (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate?
The molecular weight of (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate is 341.05 g/mol.
Where can I buy (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate?
You can request a quote for (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-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 (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((2-(4-chlorophenyl)-5-oxooxazol-4(5H)-ylidene)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.