Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide
TL;DR: Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide (CAS 338962-44-0) is a chemical compound with molecular formula C17H15NOS and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylsulfanylmethyl)-3-phenyl-1,2-oxazole
Also Known As: benzyl (3-phenyl-5-isoxazolyl)methyl sulfide, 5-(benzylsulfanylmethyl)-3-phenyl-1,2-oxazole, 5M-330S, 5-[(benzylsulfanyl)methyl]-3-phenyl-1,2-oxazole
| Molecular Formula | C17H15NOS |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 4.775 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.08743 |
| Heavy Atoms | 20 |
| Complexity | 649.0214 |
Chemical Identifiers
| CAS Number | 338962-44-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC2=CC(=NO2)C3=CC=CC=C3 |
Product Overview
Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide (CAS 338962-44-0), with molecular formula C17H15NOS and molecular weight 281.09 g/mol. IUPAC: 5-(benzylsulfanylmethyl)-3-phenyl-1,2-oxazole.
Chemical Property Profile of Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide
Property Insights of Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide
The XLogP value of 4.775 indicates that Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide 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 Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide?
The CAS number of Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide is 338962-44-0.
What is the molecular formula of Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide?
The molecular formula of Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide is C17H15NOS.
What is the molecular weight of Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide?
The molecular weight of Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide is 281.09 g/mol.
Where can I buy Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide?
You can request a quote for Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl (3-phenyl-5-isoxazolyl)methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.