Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate
TL;DR: Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate (CAS 447410-99-3) is a chemical compound with molecular formula C11H12F3N3O3 and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate
Also Known As: ChemDiv1_028300, MixCom6_000492, A2631/0111985, methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate, methyl N-acetyl-3,3,3-trifluoro-2-(pyridin-2-ylamino)alaninate
| Molecular Formula | C11H12F3N3O3 |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.08307 |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 447410-99-3 |
|---|---|
| SMILES | CC(=O)NC(C(=O)OC)(C(F)(F)F)NC1=CC=CC=N1 |
| InChIKey | KUNWJYSJEOJQBZ-UHFFFAOYSA-N |
Product Overview
Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate (CAS 447410-99-3), with molecular formula C11H12F3N3O3 and molecular weight 291.08 g/mol. IUPAC: methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate.
Chemical Property Profile of Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate
Property Insights of Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate. Following Lipinski's Rule of Five, Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate has 2 hydrogen bond donor(s) and 8 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-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate?
The CAS number of Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate is 447410-99-3.
What is the molecular formula of Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate?
The molecular formula of Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate is C11H12F3N3O3.
What is the molecular weight of Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate?
The molecular weight of Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate is 291.08 g/mol.
Where can I buy Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate?
You can request a quote for Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetamido-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.