CAS RN: 1092347-90-4
7-CHLORO-6-(TRIFLUOROMETHYL)-2,3,4-TRIHYDRONAPHTHALEN-1-ONE
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.20250214 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1092347-90-4
- Purity/Analytical Methods: >99.0%
1092347-90-4 / 7-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-one
7-Chloro-6-(trifluoromethyl)-3,4-dihydronaphthalen-1(2H)-one | MFCD11518785 | C11H8ClF3O
Basic Information
CAS
1092347-90-4
Multi CAS
Yes
Molecular Formula
C11H8ClF3O
Molecular Weight
248.630000
Exact Mass
248.021577
SMILES
C1CC2=CC(=C(C=C2C(=O)C1)Cl)C(F)(F)F
InChI
InChI=1S/C11H8ClF3O/c12-9-5-7-6(2-1-3-10(7)16)4-8(9)11(13,14)15/h4-5H,1-3H2
InChIKey
KJWKYWJYUAJTGC-UHFFFAOYSA-N
Synonyms
7-Chloro-6-(trifluoromethyl)-3,4-dihydronaphthalen-1(2H)-one
MFCD11518785
C11H8ClF3O
7-chloro-6-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-one
AKOS032961001
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
Molar refractivity
53.72
TPSA
17.07
LogP / Solubility
WLOGP
3.88
MLOGP
3.42
XLogP3
3.5
Consensus LogP
3.6
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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