Isoxazole, 5-(benzylthio)-3-phenyl-
TL;DR: Isoxazole, 5-(benzylthio)-3-phenyl- (CAS 28884-17-5) is a chemical compound with molecular formula C16H13NOS and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-3-phenyl-1,2-oxazole
Also Known As: 3-Phenyl-5- isoxazole, Isoxazole, 5-(benzylthio)-3-phenyl-, 3-Phenyl-5-(benzylthio)isoxazole, 5-(benzylthio)-3-phenylisoxazole, 5-(Benzylsulfanyl)-3-phenylisoxazole #
| Molecular Formula | C16H13NOS |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.07178 |
| Heavy Atoms | 19 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 28884-17-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC(=NO2)C3=CC=CC=C3 |
| InChIKey | TZGSQRNPJUQWND-UHFFFAOYSA-N |
Product Overview
Isoxazole, 5-(benzylthio)-3-phenyl- (CAS 28884-17-5), with molecular formula C16H13NOS and molecular weight 267.07 g/mol. IUPAC: 5-benzylsulfanyl-3-phenyl-1,2-oxazole.
Chemical Property Profile of Isoxazole, 5-(benzylthio)-3-phenyl-
Property Insights of Isoxazole, 5-(benzylthio)-3-phenyl-
The XLogP value of 4.4 indicates that Isoxazole, 5-(benzylthio)-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, Isoxazole, 5-(benzylthio)-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazole, 5-(benzylthio)-3-phenyl- has 0 hydrogen bond donor(s) and 3 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 Isoxazole, 5-(benzylthio)-3-phenyl-?
The CAS number of Isoxazole, 5-(benzylthio)-3-phenyl- is 28884-17-5.
What is the molecular formula of Isoxazole, 5-(benzylthio)-3-phenyl-?
The molecular formula of Isoxazole, 5-(benzylthio)-3-phenyl- is C16H13NOS.
What is the molecular weight of Isoxazole, 5-(benzylthio)-3-phenyl-?
The molecular weight of Isoxazole, 5-(benzylthio)-3-phenyl- is 267.07 g/mol.
Where can I buy Isoxazole, 5-(benzylthio)-3-phenyl-?
You can request a quote for Isoxazole, 5-(benzylthio)-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazole, 5-(benzylthio)-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazole, 5-(benzylthio)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.