CAS RN: 1496-15-7
2-(TRIFLUOROMETHYL)XANTHONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250923 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1496-15-7
- Purity/Analytical Methods: >99.0%
1496-15-7 / 2-(trifluoromethyl)xanthen-9-one
Basic Information
CAS
1496-15-7
Multi CAS
No
Molecular Formula
C14H7F3O2
Molecular Weight
264.200000
Exact Mass
264.039814
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C14H7F3O2/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H
InChIKey
LEOGBDMNMFJKRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
14
Fraction Csp3
0.07
H-bond acceptors
2
Molar refractivity
64.99
TPSA
30.21
LogP / Solubility
WLOGP
3.97
MLOGP
3.5
XLogP3
4.3
Consensus LogP
3.92
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS1496-78-2
- Purity/Analytical method: >99.0%
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