3-(4-(Methylthio)phenyl)isoxazol-5-amine
TL;DR: 3-(4-(Methylthio)phenyl)isoxazol-5-amine (CAS 501116-51-4) is a chemical compound with molecular formula C10H10N2OS and molecular weight 206.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylsulfanylphenyl)-1,2-oxazol-5-amine
Also Known As: 3-(4-(Methylthio)phenyl)isoxazol-5-amine, 3-[4-(methylsulfanyl)phenyl]-1,2-oxazol-5-amine, 3-(4-methylsulfanylphenyl)-1,2-oxazol-5-amine
| Molecular Formula | C10H10N2OS |
|---|---|
| Molecular Weight | 206.05 g/mol |
| LogP | 2.6457 |
| Topological Polar Surface Area | 52.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.05139 |
| Heavy Atoms | 14 |
| Complexity | 421.942 |
Chemical Identifiers
| CAS Number | 501116-51-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2=NOC(=C2)N |
Product Overview
3-(4-(Methylthio)phenyl)isoxazol-5-amine (CAS 501116-51-4), with molecular formula C10H10N2OS and molecular weight 206.05 g/mol. IUPAC: 3-(4-methylsulfanylphenyl)-1,2-oxazol-5-amine.
Chemical Property Profile of 3-(4-(Methylthio)phenyl)isoxazol-5-amine
Property Insights of 3-(4-(Methylthio)phenyl)isoxazol-5-amine
The XLogP value of 2.6457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(Methylthio)phenyl)isoxazol-5-amine. With a topological polar surface area (TPSA) of 52.05 Ų, 3-(4-(Methylthio)phenyl)isoxazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(Methylthio)phenyl)isoxazol-5-amine has 1 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 3-(4-(Methylthio)phenyl)isoxazol-5-amine?
The CAS number of 3-(4-(Methylthio)phenyl)isoxazol-5-amine is 501116-51-4.
What is the molecular formula of 3-(4-(Methylthio)phenyl)isoxazol-5-amine?
The molecular formula of 3-(4-(Methylthio)phenyl)isoxazol-5-amine is C10H10N2OS.
What is the molecular weight of 3-(4-(Methylthio)phenyl)isoxazol-5-amine?
The molecular weight of 3-(4-(Methylthio)phenyl)isoxazol-5-amine is 206.05 g/mol.
Where can I buy 3-(4-(Methylthio)phenyl)isoxazol-5-amine?
You can request a quote for 3-(4-(Methylthio)phenyl)isoxazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(Methylthio)phenyl)isoxazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(Methylthio)phenyl)isoxazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.