CAS RN: 1823245-41-5
5-Fluoro-4-(Trifluoromethyl)Azepan-4-Ol Hydrochloride(WX601543)
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.20250912 | 50mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1823245-41-5
- Purity/Analytical Methods: >99.0%
1823245-41-5 / 5-fluoro-4-(trifluoromethyl)azepan-4-ol;hydrochloride
Basic Information
CAS
1823245-41-5
Multi CAS
No
Molecular Formula
C7H12ClF4NO
Molecular Weight
237.620000
Exact Mass
237.054354
SMILES
C1CNCCC(C1F)(C(F)(F)F)O.Cl
InChI
InChI=1S/C7H11F4NO.ClH/c8-5-1-3-12-4-2-6(5,13)7(9,10)11;/h5,12-13H,1-4H2;1H
InChIKey
AMHVLQHXJIKMFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.25
TPSA
32.26
LogP / Solubility
WLOGP
1.42
MLOGP
1.26
XLogP3
1.42
Consensus LogP
1.37
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately 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)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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