Trifluoroacetyl melatonin
TL;DR: Trifluoroacetyl melatonin (CAS 66012-91-7) is a chemical compound with molecular formula C15H13F3N2O2 and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(5-methoxy-2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone
Also Known As: Trifluoroacetyl melatonin, Melatonin TFA (spiro(3H-indole-3,3'-pyrrolidine) form), 5-METHOXYINDOLE-3-SPIRO-3'-N-TRIFLUOROACETYL-2'-METHYLENEPYRROLIDINE, 1 -(Trifluoroacetyl)-5-methoxy-2 -methylenespiro[3H-indole-3,3 -pyrrolidine], 2,2,2-trifluoro-1-(5-methoxy-2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone
| Molecular Formula | C15H13F3N2O2 |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 310.09293 |
| Heavy Atoms | 22 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 66012-91-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=CC23CCN(C3=C)C(=O)C(F)(F)F |
| InChIKey | RAEVVXJFQROQDJ-UHFFFAOYSA-N |
Product Overview
Trifluoroacetyl melatonin (CAS 66012-91-7), with molecular formula C15H13F3N2O2 and molecular weight 310.09 g/mol. IUPAC: 2,2,2-trifluoro-1-(5-methoxy-2'-methylidenespiro[indole-3,3'-pyrrolidine]-1'-yl)ethanone.
Chemical Property Profile of Trifluoroacetyl melatonin
Property Insights of Trifluoroacetyl melatonin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoroacetyl melatonin. With a topological polar surface area (TPSA) of 41.9 Ų, Trifluoroacetyl melatonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoroacetyl melatonin has 0 hydrogen bond donor(s) and 6 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 Trifluoroacetyl melatonin?
The CAS number of Trifluoroacetyl melatonin is 66012-91-7.
What is the molecular formula of Trifluoroacetyl melatonin?
The molecular formula of Trifluoroacetyl melatonin is C15H13F3N2O2.
What is the molecular weight of Trifluoroacetyl melatonin?
The molecular weight of Trifluoroacetyl melatonin is 310.09 g/mol.
Where can I buy Trifluoroacetyl melatonin?
You can request a quote for Trifluoroacetyl melatonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoroacetyl melatonin?
Yes, KEHONG BIO provides custom synthesis services for Trifluoroacetyl melatonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.