CAS RN: 85532-42-9
ethyl 3-aMino-3-Methylbutanoate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260417 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | 3-5 business days | Inquiry |
- Product code: starshine_CAS85532-42-9
- Purity/Analytical Methods: >99.0%
85532-42-9 / ethyl 3-amino-3-methylbutanoate
Basic Information
CAS
85532-42-9
Multi CAS
No
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
InChI
InChI=1S/C7H15NO2/c1-4-10-6(9)5-7(2,3)8/h4-5,8H2,1-3H3
InChIKey
CINTWGJQDJSXPJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.52
TPSA
52.32
LogP / Solubility
WLOGP
0.68
MLOGP
0.59
XLogP3
0.1
Consensus LogP
0.46
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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