CAS RN: 287395-61-3
b-Alanine, N-methyl-N-pentyl-
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.20250326 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS287395-61-3
- Purity/Analytical Methods: >99.0%
287395-61-3 / 3-[methyl(pentyl)amino]propanoic acid
Basic Information
CAS
287395-61-3
Multi CAS
Yes
Molecular Formula
C9H19NO2
Molecular Weight
173.250000
Exact Mass
173.141579
InChI
InChI=1S/C9H19NO2/c1-3-4-5-7-10(2)8-6-9(11)12/h3-8H2,1-2H3,(H,11,12)
InChIKey
YWSCUVIPKSJBRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.27
TPSA
40.54
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
-0.7
Consensus LogP
0.76
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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