1-(Trifluoroacetyl)azulene
TL;DR: 1-(Trifluoroacetyl)azulene (CAS 1534-68-5) is a chemical compound with molecular formula C12H7F3O and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azulen-1-yl-2,2,2-trifluoroethanone
Also Known As: 1-(trifluoroacetyl)azulene, 1-azulen-1-yl-2,2,2-trifluoroethanone, 1-(1-azulenyl)-2,2,2-trifluoroethanone, 1-azulen-1-yl-2,2,2-trifluoro-ethanone
| Molecular Formula | C12H7F3O |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 3.5364 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.0449 |
| Heavy Atoms | 16 |
| Complexity | 502.0661 |
Chemical Identifiers
| CAS Number | 1534-68-5 |
|---|---|
| SMILES | C1=CC=C2C=CC(=C2C=C1)C(=O)C(F)(F)F |
Product Overview
1-(Trifluoroacetyl)azulene (CAS 1534-68-5), with molecular formula C12H7F3O and molecular weight 224.04 g/mol. IUPAC: 1-azulen-1-yl-2,2,2-trifluoroethanone.
Chemical Property Profile of 1-(Trifluoroacetyl)azulene
Property Insights of 1-(Trifluoroacetyl)azulene
The XLogP value of 3.5364 indicates that 1-(Trifluoroacetyl)azulene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(Trifluoroacetyl)azulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Trifluoroacetyl)azulene has 0 hydrogen bond donor(s) and 1 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 1-(Trifluoroacetyl)azulene?
The CAS number of 1-(Trifluoroacetyl)azulene is 1534-68-5.
What is the molecular formula of 1-(Trifluoroacetyl)azulene?
The molecular formula of 1-(Trifluoroacetyl)azulene is C12H7F3O.
What is the molecular weight of 1-(Trifluoroacetyl)azulene?
The molecular weight of 1-(Trifluoroacetyl)azulene is 224.04 g/mol.
Where can I buy 1-(Trifluoroacetyl)azulene?
You can request a quote for 1-(Trifluoroacetyl)azulene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Trifluoroacetyl)azulene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Trifluoroacetyl)azulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.