methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate
TL;DR: methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate (CAS 108198-30-7) is a chemical compound with molecular formula C6H8F3NO5 and molecular weight 231.04 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-(methoxycarbonylamino)propanoate
Also Known As: methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate, methyl 3,3,3-trifluoro-2-hydroxy-2-(methoxycarbonylamino)propanoate, methyl 3,3,3-trifluoro-2-hydroxy-2-((methoxycarbonyl)amino)propanoate
| Molecular Formula | C6H8F3NO5 |
|---|---|
| Molecular Weight | 231.04 g/mol |
| LogP | -0.2337 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.03546 |
| Heavy Atoms | 15 |
| Complexity | 265.98322 |
Chemical Identifiers
| CAS Number | 108198-30-7 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(NC(=O)OC)O |
Product Overview
methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate (CAS 108198-30-7), with molecular formula C6H8F3NO5 and molecular weight 231.04 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-hydroxy-2-(methoxycarbonylamino)propanoate.
Chemical Property Profile of methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate
Property Insights of methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate
The XLogP value of -0.2337 indicates that methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate. Following Lipinski's Rule of Five, methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate 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 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate?
The CAS number of methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate is 108198-30-7.
What is the molecular formula of methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate?
The molecular formula of methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate is C6H8F3NO5.
What is the molecular weight of methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate?
The molecular weight of methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate is 231.04 g/mol.
Where can I buy methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate?
You can request a quote for methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)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-(methoxycarbonyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,3,3-trifluoro-2-hydroxy-N-(methoxycarbonyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.