CAS RN: 69557-34-2
ethyl (S)-2-amino-3,3-dimethylbutanoate
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.20260226 | 1g / 5g / 25g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS69557-34-2
- Purity/Analytical Methods: >99.0%
69557-34-2 / ethyl 2-amino-3,3-dimethylbutanoate
Basic Information
CAS
69557-34-2
Multi CAS
Yes
Molecular Formula
C8H17NO2
Molecular Weight
159.230000
Exact Mass
159.125929
InChI
InChI=1S/C8H17NO2/c1-5-11-7(10)6(9)8(2,3)4/h6H,5,9H2,1-4H3/t6-/m1/s1
InChIKey
DZYMZVGPERHWSO-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.06
TPSA
52.32
LogP / Solubility
WLOGP
0.92
MLOGP
0.81
XLogP3
1.3
Consensus LogP
1.01
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.04
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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