methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate
TL;DR: methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate (CAS 488090-02-4) is a chemical compound with molecular formula C13H16F3N3O3 and molecular weight 319.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate
Also Known As: A3042/0128395, (R)-methyl 2-acetamido-2-((4,6-dimethylpyridin-2-yl)amino)-3,3,3-trifluoropropanoate, methyl 2-(acetylamino)-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate, METHYL 2-(ACETYLAMINO)-2-[(4,6-DIMETHYL-2-PYRIDYL)AMINO]-3,3,3-TRIFLUOROPROPANOATE, methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate
| Molecular Formula | C13H16F3N3O3 |
|---|---|
| Molecular Weight | 319.11 g/mol |
| LogP | 1.67804 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.11438 |
| Heavy Atoms | 22 |
| Complexity | 569.3784 |
Chemical Identifiers
| CAS Number | 488090-02-4 |
|---|---|
| SMILES | CC1=CC(=NC(=C1)NC(C(=O)OC)(C(F)(F)F)NC(=O)C)C |
Product Overview
methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate (CAS 488090-02-4), with molecular formula C13H16F3N3O3 and molecular weight 319.11 g/mol. IUPAC: methyl 2-acetamido-2-[(4,6-dimethyl-2-pyridinyl)amino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate
Property Insights of methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate
The XLogP value of 1.67804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate. Following Lipinski's Rule of Five, methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate has 2 hydrogen bond donor(s) and 5 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 methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate?
The CAS number of methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate is 488090-02-4.
What is the molecular formula of methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate?
The molecular formula of methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate is C13H16F3N3O3.
What is the molecular weight of methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate?
The molecular weight of methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate is 319.11 g/mol.
Where can I buy methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate?
You can request a quote for methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(acetylamino)-N-(4,6-dimethylpyridin-2-yl)-3,3,3-trifluoroalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.