Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate
TL;DR: Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate (CAS 4134-44-5) is a chemical compound with molecular formula C5H8F3NO and molecular weight 155.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2,2,2-trifluoroethanimidate
Also Known As: NCIOpen2_001243, propan-2-yl(1z)-2,2,2-trifluoroethanimidoate, propan-2-yl 2,2,2-trifluoroethanimidate, isopropyl 2,2,2-trifluoroacetimidate, 2,2,2-Trifluor-essigsaeure-imido-<2-propylester>
| Molecular Formula | C5H8F3NO |
|---|---|
| Molecular Weight | 155.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.0558 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 4134-44-5 |
|---|---|
| SMILES | CC(C)OC(=N)C(F)(F)F |
| InChIKey | LANVNMFHLPXVCN-UHFFFAOYSA-N |
Product Overview
Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate (CAS 4134-44-5), with molecular formula C5H8F3NO and molecular weight 155.06 g/mol. IUPAC: propan-2-yl 2,2,2-trifluoroethanimidate.
Chemical Property Profile of Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate
Property Insights of Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate. With a topological polar surface area (TPSA) of 33.1 Ų, Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate has 1 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 Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate?
The CAS number of Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate is 4134-44-5.
What is the molecular formula of Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate?
The molecular formula of Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate is C5H8F3NO.
What is the molecular weight of Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate?
The molecular weight of Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate is 155.06 g/mol.
Where can I buy Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate?
You can request a quote for Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl(1z)-2,2,2-trifluoroethanimidoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.