(5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate
TL;DR: (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate (CAS 953013-80-4) is a chemical compound with molecular formula C18H15NO3S and molecular weight 325.08 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-methylsulfanylbenzoate
Also Known As: (5-phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate, (5-phenyl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate, (5-phenyl-1,2-oxazol-3-yl)methyl 2-(methylsulfanyl)benzoate, F2496-0125
| Molecular Formula | C18H15NO3S |
|---|---|
| Molecular Weight | 325.08 g/mol |
| LogP | 4.4205 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.07727 |
| Heavy Atoms | 23 |
| Complexity | 798.7911 |
Chemical Identifiers
| CAS Number | 953013-80-4 |
|---|---|
| SMILES | CSC1=CC=CC=C1C(=O)OCC2=NOC(=C2)C3=CC=CC=C3 |
Product Overview
(5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate (CAS 953013-80-4), with molecular formula C18H15NO3S and molecular weight 325.08 g/mol. IUPAC: (5-phenyl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate.
Chemical Property Profile of (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate
Property Insights of (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate
The XLogP value of 4.4205 indicates that (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate 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-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)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 (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate?
The CAS number of (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate is 953013-80-4.
What is the molecular formula of (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate?
The molecular formula of (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate is C18H15NO3S.
What is the molecular weight of (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate?
The molecular weight of (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate is 325.08 g/mol.
Where can I buy (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate?
You can request a quote for (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Phenylisoxazol-3-yl)methyl 2-(methylthio)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.