methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate
TL;DR: methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate (CAS 328391-86-2) is a chemical compound with molecular formula C7H10F3NO4 and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-hydroxy-2-(propanoylamino)propanoate
Also Known As: methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate, methyl 3,3,3-trifluoro-2-hydroxy-2-propionamidopropanoate, methyl 3,3,3-trifluoro-2-hydroxy-2-(propanoylamino)propanoate
| Molecular Formula | C7H10F3NO4 |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | -0.0635 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0562 |
| Heavy Atoms | 15 |
| Complexity | 265.45114 |
Chemical Identifiers
| CAS Number | 328391-86-2 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OC)(C(F)(F)F)O |
Product Overview
methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate (CAS 328391-86-2), with molecular formula C7H10F3NO4 and molecular weight 229.06 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-hydroxy-2-(propanoylamino)propanoate.
Chemical Property Profile of methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate
Property Insights of methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate
The XLogP value of -0.0635 indicates that methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate. Following Lipinski's Rule of Five, methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate has 2 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 methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate?
The CAS number of methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate is 328391-86-2.
What is the molecular formula of methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate?
The molecular formula of methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate is C7H10F3NO4.
What is the molecular weight of methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate?
The molecular weight of methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate is 229.06 g/mol.
Where can I buy methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate?
You can request a quote for methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,3,3-trifluoro-2-hydroxy-N-propanoylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.