4-Brom-5-methyl-3-aminoisoxazol
TL;DR: 4-Brom-5-methyl-3-aminoisoxazol (CAS 5819-52-3) is a chemical compound with molecular formula C18H23F3N2O5S and molecular weight 436.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate
Also Known As: 4-Brom-5-methyl-3-aminoisoxazol, BAS 04923769, ethyl 1-{N-(methylsulfonyl)-N-[3-(trifluoromethyl)phenyl]glycyl}piperidine-4-carboxylate, ethyl 1-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate, Ethyl 1-{N-(methanesulfonyl)-N-[3-(trifluoromethyl)phenyl]glycyl}piperidine-4-carboxylate
| Molecular Formula | C18H23F3N2O5S |
|---|---|
| Molecular Weight | 436.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.128 |
| Heavy Atoms | 29 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 5819-52-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C |
| InChIKey | BXVSKXWPXKQTOL-UHFFFAOYSA-N |
Product Overview
4-Brom-5-methyl-3-aminoisoxazol (CAS 5819-52-3), with molecular formula C18H23F3N2O5S and molecular weight 436.13 g/mol. IUPAC: ethyl 1-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate.
Chemical Property Profile of 4-Brom-5-methyl-3-aminoisoxazol
Property Insights of 4-Brom-5-methyl-3-aminoisoxazol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Brom-5-methyl-3-aminoisoxazol. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Brom-5-methyl-3-aminoisoxazol. Following Lipinski's Rule of Five, 4-Brom-5-methyl-3-aminoisoxazol has 0 hydrogen bond donor(s) and 9 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 4-Brom-5-methyl-3-aminoisoxazol?
The CAS number of 4-Brom-5-methyl-3-aminoisoxazol is 5819-52-3.
What is the molecular formula of 4-Brom-5-methyl-3-aminoisoxazol?
The molecular formula of 4-Brom-5-methyl-3-aminoisoxazol is C18H23F3N2O5S.
What is the molecular weight of 4-Brom-5-methyl-3-aminoisoxazol?
The molecular weight of 4-Brom-5-methyl-3-aminoisoxazol is 436.13 g/mol.
Where can I buy 4-Brom-5-methyl-3-aminoisoxazol?
You can request a quote for 4-Brom-5-methyl-3-aminoisoxazol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Brom-5-methyl-3-aminoisoxazol?
Yes, KEHONG BIO provides custom synthesis services for 4-Brom-5-methyl-3-aminoisoxazol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.