5-Methylsulfanyl-3-phenyl-1,2-oxazole
TL;DR: 5-Methylsulfanyl-3-phenyl-1,2-oxazole (CAS 25755-80-0) is a chemical compound with molecular formula C10H9NOS and molecular weight 191.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanyl-3-phenyl-1,2-oxazole
Also Known As: Isoxazole, 5-(methylthio)-3-phenyl-, 5-(Methylthio)-3-phenylisoxazole, 5-methylsulfanyl-3-phenyl-1,2-oxazole, 5-(methylsulfanyl)-3-phenyl-1,2-oxazole, InChI=1/C10H9NOS/c1-13-10-7-9(11-12-10)8-5-3-2-4-6-8/h2-7H,1H
| Molecular Formula | C10H9NOS |
|---|---|
| Molecular Weight | 191.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.04048 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 25755-80-0 |
|---|---|
| SMILES | CSC1=CC(=NO1)C2=CC=CC=C2 |
| InChIKey | CCUUBLRAMGCOOB-UHFFFAOYSA-N |
Product Overview
5-Methylsulfanyl-3-phenyl-1,2-oxazole (CAS 25755-80-0), with molecular formula C10H9NOS and molecular weight 191.04 g/mol. IUPAC: 5-methylsulfanyl-3-phenyl-1,2-oxazole.
Chemical Property Profile of 5-Methylsulfanyl-3-phenyl-1,2-oxazole
Property Insights of 5-Methylsulfanyl-3-phenyl-1,2-oxazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylsulfanyl-3-phenyl-1,2-oxazole. With a topological polar surface area (TPSA) of 51.3 Ų, 5-Methylsulfanyl-3-phenyl-1,2-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylsulfanyl-3-phenyl-1,2-oxazole 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 5-Methylsulfanyl-3-phenyl-1,2-oxazole?
The CAS number of 5-Methylsulfanyl-3-phenyl-1,2-oxazole is 25755-80-0.
What is the molecular formula of 5-Methylsulfanyl-3-phenyl-1,2-oxazole?
The molecular formula of 5-Methylsulfanyl-3-phenyl-1,2-oxazole is C10H9NOS.
What is the molecular weight of 5-Methylsulfanyl-3-phenyl-1,2-oxazole?
The molecular weight of 5-Methylsulfanyl-3-phenyl-1,2-oxazole is 191.04 g/mol.
Where can I buy 5-Methylsulfanyl-3-phenyl-1,2-oxazole?
You can request a quote for 5-Methylsulfanyl-3-phenyl-1,2-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylsulfanyl-3-phenyl-1,2-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylsulfanyl-3-phenyl-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.