CAS RN: 51739-62-9
2-amino-N-methylbutanamide hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251119 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS51739-62-9
- Purity/Analytical Methods: >99.0%
51739-62-9 / 2-amino-N-methylbutanamide;hydrochloride
Basic Information
CAS
51739-62-9
Multi CAS
No
Molecular Formula
C5H13CLN2O
Molecular Weight
152.620000
Exact Mass
152.071641
InChI
InChI=1S/C5H12N2O.ClH/c1-3-4(6)5(8)7-2;/h4H,3,6H2,1-2H3,(H,7,8);1H
InChIKey
OOIZNTBEHPRPOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.58
TPSA
55.12
LogP / Solubility
WLOGP
-0.11
MLOGP
-0.1
XLogP3
-0.11
Consensus LogP
-0.11
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-3.73
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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