3-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole
TL;DR: 3-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole (CAS 391200-00-3) is a chemical compound with molecular formula C12H12BrNO2S and molecular weight 312.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole
Also Known As: 4-methylthio-3-(isoxazol-3-yl)-2-ethoxybromobenzene, 3-(3-bromo-2-ethoxy-6-methylsulfanyl-phenyl)-1,2-oxazole
| Molecular Formula | C12H12BrNO2S |
|---|---|
| Molecular Weight | 312.98 g/mol |
| LogP | 4.2247 |
| Topological Polar Surface Area | 35.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.9772 |
| Heavy Atoms | 17 |
| Complexity | 499.4568 |
Chemical Identifiers
| CAS Number | 391200-00-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1C2=NOC=C2)SC)Br |
Product Overview
3-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole (CAS 391200-00-3), with molecular formula C12H12BrNO2S and molecular weight 312.98 g/mol. IUPAC: 3-(3-bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole.
Chemical Property Profile of 3-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole
Property Insights of 3-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole
The XLogP value of 4.2247 indicates that 3-(3-Bromo-2-ethoxy-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 35.26 Ų, 3-(3-Bromo-2-ethoxy-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-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole has 0 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-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole?
The CAS number of 3-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole is 391200-00-3.
What is the molecular formula of 3-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole?
The molecular formula of 3-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole is C12H12BrNO2S.
What is the molecular weight of 3-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole?
The molecular weight of 3-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole is 312.98 g/mol.
Where can I buy 3-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole?
You can request a quote for 3-(3-Bromo-2-ethoxy-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-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Bromo-2-ethoxy-6-methylsulfanylphenyl)-1,2-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.