(2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate
TL;DR: (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate (CAS 7251-80-1) is a chemical compound with molecular formula C18H13NO4 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate
Also Known As: (2-benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate, (2-benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl benzoate, [(Z)-(2-benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl] benzoate
| Molecular Formula | C18H13NO4 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.08447 |
| Heavy Atoms | 23 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 7251-80-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC(=COC(=O)C3=CC=CC=C3)C(=O)O2 |
| InChIKey | KRVPGCSPAPHGSZ-UHFFFAOYSA-N |
Product Overview
(2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate (CAS 7251-80-1), with molecular formula C18H13NO4 and molecular weight 307.08 g/mol. IUPAC: (2-benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate.
Chemical Property Profile of (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate
Property Insights of (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate
The XLogP value of 3.1 indicates that (2-Benzyl-5-oxo-1,3-oxazol-4-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 (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate. Following Lipinski's Rule of Five, (2-Benzyl-5-oxo-1,3-oxazol-4-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 (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate?
The CAS number of (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate is 7251-80-1.
What is the molecular formula of (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate?
The molecular formula of (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate is C18H13NO4.
What is the molecular weight of (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate?
The molecular weight of (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate is 307.08 g/mol.
Where can I buy (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate?
You can request a quote for (2-Benzyl-5-oxo-1,3-oxazol-4-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 (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Benzyl-5-oxo-1,3-oxazol-4-ylidene)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.