methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate
TL;DR: methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate (CAS 355157-14-1) is a chemical compound with molecular formula C8H12F3NO4 and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(butanoylamino)-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate, methyl 2-butyramido-3,3,3-trifluoro-2-hydroxypropanoate, methyl 2-(butanoylamino)-3,3,3-trifluoro-2-hydroxypropanoate
| Molecular Formula | C8H12F3NO4 |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 0.3266 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.07184 |
| Heavy Atoms | 16 |
| Complexity | 278.9472 |
Chemical Identifiers
| CAS Number | 355157-14-1 |
|---|---|
| SMILES | CCCC(=O)NC(C(=O)OC)(C(F)(F)F)O |
Product Overview
methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate (CAS 355157-14-1), with molecular formula C8H12F3NO4 and molecular weight 243.07 g/mol. IUPAC: methyl 2-(butanoylamino)-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate
Property Insights of methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate
The XLogP value of 0.3266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate. Following Lipinski's Rule of Five, methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate 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 N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate?
The CAS number of methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate is 355157-14-1.
What is the molecular formula of methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate?
The molecular formula of methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate is C8H12F3NO4.
What is the molecular weight of methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate?
The molecular weight of methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate is 243.07 g/mol.
Where can I buy methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate?
You can request a quote for methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-butanoyl-3,3,3-trifluoro-2-hydroxyalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.