(5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
TL;DR: (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate (CAS 880412-70-4) is a chemical compound with molecular formula C17H11F2NO3 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
Also Known As: (5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate, F2496-0040, (5-phenylisoxazol-3-yl)methyl 2,6-difluorobenzoate, (5-phenyl-3-isoxazolyl)methyl 2,6-difluorobenzoate
| Molecular Formula | C17H11F2NO3 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.9768 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.0707 |
| Heavy Atoms | 23 |
| Complexity | 810.6147 |
Chemical Identifiers
| CAS Number | 880412-70-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=C(C=CC=C3F)F |
Product Overview
(5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate (CAS 880412-70-4), with molecular formula C17H11F2NO3 and molecular weight 315.07 g/mol. IUPAC: (5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate.
Chemical Property Profile of (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
Property Insights of (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
The XLogP value of 3.9768 indicates that (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate has 0 hydrogen bond donor(s) and 4 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 (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
The CAS number of (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate is 880412-70-4.
What is the molecular formula of (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
The molecular formula of (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate is C17H11F2NO3.
What is the molecular weight of (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
The molecular weight of (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate is 315.07 g/mol.
Where can I buy (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
You can request a quote for (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.