3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole
TL;DR: 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole (CAS 391199-98-7) is a chemical compound with molecular formula C12H12BrNOS and molecular weight 296.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole
Also Known As: 4-methylthio-3-(isoxazol-3-yl)-2-ethylbromobenzene, 3-(3-bromo-2-ethyl-6-methylsulfanyl-phenyl)-1,2-oxazole
| Molecular Formula | C12H12BrNOS |
|---|---|
| Molecular Weight | 296.98 g/mol |
| LogP | 4.3884 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.9823 |
| Heavy Atoms | 16 |
| Complexity | 482.01404 |
Chemical Identifiers
| CAS Number | 391199-98-7 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1C2=NOC=C2)SC)Br |
Product Overview
3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole (CAS 391199-98-7), with molecular formula C12H12BrNOS and molecular weight 296.98 g/mol. IUPAC: 3-(3-bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole.
Chemical Property Profile of 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole
Property Insights of 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole
The XLogP value of 4.3884 indicates that 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-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 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole?
The CAS number of 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole is 391199-98-7.
What is the molecular formula of 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole?
The molecular formula of 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole is C12H12BrNOS.
What is the molecular weight of 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole?
The molecular weight of 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole is 296.98 g/mol.
Where can I buy 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole?
You can request a quote for 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-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 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromo-2-ethyl-6-methylsulfanylphenyl)-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.