CAS RN: 132719-10-9
Ethanone, 1-(3,5-dimethylphenyl)-2,2,2-trifluoro- (9CI)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250708 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS132719-10-9
- Purity/Analytical Methods: >99.0%
132719-10-9 / 1-(3,5-dimethylphenyl)-2,2,2-trifluoroethanone
Basic Information
CAS
132719-10-9
Multi CAS
No
Molecular Formula
C10H9F3O
Molecular Weight
202.170000
Exact Mass
202.060549
SMILES
CC1=CC(=CC(=C1)C(=O)C(F)(F)F)C
InChI
InChI=1S/C10H9F3O/c1-6-3-7(2)5-8(4-6)9(14)10(11,12)13/h3-5H,1-2H3
InChIKey
SOGZINXNLJBXMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
46.3
TPSA
17.07
LogP / Solubility
WLOGP
3.05
MLOGP
2.68
XLogP3
3.5
Consensus LogP
3.08
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 132740-14-8 N-[(3-CHLORO-1-BENZOTHIEN-2-YL)-METHYL]-N-METHYLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132740-14-8.gif)
