![ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate structure](/static/products/339/339339-40-1.png)
ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate
TL;DR: ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate (CAS 339339-40-1) is a chemical compound with molecular formula C14H20F3N3O4 and molecular weight 351.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-(3-methylbutanoylamino)-2-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
Also Known As: ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate, ethyl 3,3,3-trifluoro-2-(3-methylbutanamido)-2-((5-methylisoxazol-3-yl)amino)propanoate, ethyl 3,3,3-trifluoro-2-(3-methylbutanoylamino)-2-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
| Molecular Formula | C14H20F3N3O4 |
|---|---|
| Molecular Weight | 351.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 351.1406 |
| Heavy Atoms | 24 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 339339-40-1 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=NOC(=C1)C)NC(=O)CC(C)C |
| InChIKey | FUUDJZSCPFEYRE-UHFFFAOYSA-N |
Product Overview
ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate (CAS 339339-40-1), with molecular formula C14H20F3N3O4 and molecular weight 351.14 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-(3-methylbutanoylamino)-2-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate.
Chemical Property Profile of ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate
Property Insights of ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate
The XLogP value of 3.6 indicates that ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate. Following Lipinski's Rule of Five, ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate has 2 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 ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate?
The CAS number of ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate is 339339-40-1.
What is the molecular formula of ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate?
The molecular formula of ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate is C14H20F3N3O4.
What is the molecular weight of ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate?
The molecular weight of ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate is 351.14 g/mol.
Where can I buy ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate?
You can request a quote for ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.