Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate
TL;DR: Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate (CAS 126535-89-5) is a chemical compound with molecular formula C9H12F3NO4 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
Also Known As: Methyl (2E)-2-tert-butoxycarbonylimino-3,3,3-trifluoro-propanoate, Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate, methyl (2E)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate
| Molecular Formula | C9H12F3NO4 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 2.0978 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.07184 |
| Heavy Atoms | 17 |
| Complexity | 341.13058 |
Chemical Identifiers
| CAS Number | 126535-89-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)/N=C(\C(=O)OC)/C(F)(F)F |
Product Overview
Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate (CAS 126535-89-5), with molecular formula C9H12F3NO4 and molecular weight 255.07 g/mol. IUPAC: methyl (2E)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoate.
Chemical Property Profile of Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate
Property Insights of Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate
The XLogP value of 2.0978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate. Following Lipinski's Rule of Five, Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate has 0 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 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate?
The CAS number of Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate is 126535-89-5.
What is the molecular formula of Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate?
The molecular formula of Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate is C9H12F3NO4.
What is the molecular weight of Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate?
The molecular weight of Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate is 255.07 g/mol.
Where can I buy Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate?
You can request a quote for Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate 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-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((tert-butoxycarbonyl)imino)-3,3,3-trifluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.