methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate
TL;DR: methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate (CAS 327098-84-0) is a chemical compound with molecular formula C9H14F3NO4 and molecular weight 257.09 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-(2-methylbutanoylamino)propanoate
Also Known As: methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate, 3,3,3-Trifluoro-2-hydroxy-N-(2-methyl-1-oxobutyl)alanine methyl ester, METHYL 3,3,3-TRIFLUORO-2-HYDROXY-2-(2-METHYLBUTANAMIDO)PROPANOATE, methyl 3,3,3-trifluoro-2-hydroxy-2-(2-methylbutanoylamino)propanoate
| Molecular Formula | C9H14F3NO4 |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | 0.5726 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.0875 |
| Heavy Atoms | 17 |
| Complexity | 305.10632 |
Chemical Identifiers
| CAS Number | 327098-84-0 |
|---|---|
| SMILES | CCC(C)C(=O)NC(C(=O)OC)(C(F)(F)F)O |
Product Overview
methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate (CAS 327098-84-0), with molecular formula C9H14F3NO4 and molecular weight 257.09 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-hydroxy-2-(2-methylbutanoylamino)propanoate.
Chemical Property Profile of methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate
Property Insights of methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate
The XLogP value of 0.5726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate. 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-(2-methylbutanoyl)alaninate. Following Lipinski's Rule of Five, methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate 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-(2-methylbutanoyl)alaninate?
The CAS number of methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate is 327098-84-0.
What is the molecular formula of methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate?
The molecular formula of methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate is C9H14F3NO4.
What is the molecular weight of methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate?
The molecular weight of methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate is 257.09 g/mol.
Where can I buy methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate?
You can request a quote for methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate 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-(2-methylbutanoyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,3,3-trifluoro-2-hydroxy-N-(2-methylbutanoyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.