CAS RN: 2242580-13-6
(R)-4-amino-3-fluoro-2-methylbutan-2-ol hydrochloride
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.20250530 | 25mg / 50mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2242580-13-6
- Purity/Analytical Methods: >99.0%
2242580-13-6 / (3R)-4-amino-3-fluoro-2-methylbutan-2-ol;hydrochloride
Basic Information
CAS
2242580-13-6
Multi CAS
No
Molecular Formula
C5H13ClFNO
Molecular Weight
157.610000
Exact Mass
157.066970
SMILES
CC(C)([C@@H](CN)F)O.Cl
InChI
InChI=1S/C5H12FNO.ClH/c1-5(2,8)4(6)3-7;/h4,8H,3,7H2,1-2H3;1H/t4-;/m1./s1
InChIKey
JUPPCXIRHYEIQN-PGMHMLKASA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.5
TPSA
46.25
LogP / Solubility
WLOGP
0.48
MLOGP
0.41
XLogP3
0.48
Consensus LogP
0.46
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
Class (SILICOS-IT)
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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