Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate
TL;DR: Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 126535-83-9) is a chemical compound with molecular formula C9H14F3NO5 and molecular weight 273.08 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-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: starbld0039526, methyl 2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoro-2-hydroxypropanoate, methyl 2-[(tert-butoxycarbonyl)amino]-3,3,3-trifluoro-2-hydroxypropanoate, A2910/0122639, Methyl 2-(Boc-amino)-3,3,3-trifluoro-2-hydroxypropanoate
| Molecular Formula | C9H14F3NO5 |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 0.935 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0824 |
| Heavy Atoms | 18 |
| Complexity | 336.07526 |
Chemical Identifiers
| CAS Number | 126535-83-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(C(=O)OC)(C(F)(F)F)O |
Product Overview
Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 126535-83-9), with molecular formula C9H14F3NO5 and molecular weight 273.08 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate
Property Insights of Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate
The XLogP value of 0.935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate. Following Lipinski's Rule of Five, Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate 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 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate?
The CAS number of Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate is 126535-83-9.
What is the molecular formula of Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular formula of Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate is C9H14F3NO5.
What is the molecular weight of Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate?
The molecular weight of Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate is 273.08 g/mol.
Where can I buy Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate?
You can request a quote for Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(((tert-butoxy)carbonyl)amino)-3,3,3-trifluoro-2-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.