CAS RN: 54680-72-7
(S)-3-Aminobutan-2-one 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.20260221 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS54680-72-7
- Purity/Analytical Methods: >99.0%
54680-72-7 / 3-aminobutan-2-one;hydrochloride
Basic Information
CAS
54680-72-7
Multi CAS
Yes
Molecular Formula
C4H10CLNO
Molecular Weight
123.580000
Exact Mass
123.045092
InChI
InChI=1S/C4H9NO.ClH/c1-3(5)4(2)6;/h3H,5H2,1-2H3;1H/t3-;/m0./s1
InChIKey
PJUJCERLTHVZRL-DFWYDOINSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
31.58
TPSA
43.09
LogP / Solubility
WLOGP
0.34
MLOGP
0.29
XLogP3
0.34
Consensus LogP
0.32
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very 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)
-3.23
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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