CAS RN: 54608-35-4
ethyl 2-(phenethylamino)acetate
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.20260122 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS54608-35-4
- Purity/Analytical Methods: >99.0%
54608-35-4 / ethyl 2-(2-phenylethylamino)acetate
Basic Information
CAS
54608-35-4
Multi CAS
No
Molecular Formula
C12H17NO2
Molecular Weight
207.270000
Exact Mass
207.125929
InChI
InChI=1S/C12H17NO2/c1-2-15-12(14)10-13-9-8-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKey
ADVKOLZYLWXQSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.65
TPSA
38.33
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
2
Consensus LogP
1.53
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Purity/Analytical method: >99.0%
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