![CAS 618-97-3 1-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOL-1 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/618-97-3.gif)
CAS RN: 618-97-3
1-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOL-1
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.20260624 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS618-97-3
- Purity/Analytical Methods: >99.0%
618-97-3 / 1-[3-(trifluoromethyl)phenyl]propan-1-ol
Basic Information
CAS
618-97-3
Multi CAS
No
Molecular Formula
C10F3H11O
Molecular Weight
204.190000
Exact Mass
204.076199
InChI
InChI=1S/C10H11F3O/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6,9,14H,2H2,1H3
InChIKey
SZSJCUKIEPGUMF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.69
TPSA
20.23
LogP / Solubility
WLOGP
3.15
MLOGP
2.77
XLogP3
2.8
Consensus LogP
2.91
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- Product Code: starshine_CAS619-15-8
- Purity/Analytical method: >99.0%
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