Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate
TL;DR: Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate (CAS 215657-66-2) is a chemical compound with molecular formula C9H10F3NO3 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate
Also Known As: methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate, Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxo-hex-3-enoate
| Molecular Formula | C9H10F3NO3 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 1.0797 |
| Topological Polar Surface Area | 69.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.06128 |
| Heavy Atoms | 16 |
| Complexity | 351.50095 |
Chemical Identifiers
| CAS Number | 215657-66-2 |
|---|---|
| SMILES | CC(=C(C=CC(=O)C(F)(F)F)C(=O)OC)N |
Product Overview
Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate (CAS 215657-66-2), with molecular formula C9H10F3NO3 and molecular weight 237.06 g/mol. IUPAC: methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate.
Chemical Property Profile of Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate
Property Insights of Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate
The XLogP value of 1.0797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate. The TPSA of 69.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate. Following Lipinski's Rule of Five, Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate has 1 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-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate?
The CAS number of Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate is 215657-66-2.
What is the molecular formula of Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate?
The molecular formula of Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate is C9H10F3NO3.
What is the molecular weight of Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate?
The molecular weight of Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate is 237.06 g/mol.
Where can I buy Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate?
You can request a quote for Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1-aminoethylidene)-6,6,6-trifluoro-5-oxohex-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.