CAS RN: 1854-30-4
O-Acetylethanolamine
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.20260222 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1854-30-4
- Purity/Analytical Methods: >99.0%
1854-30-4 / 2-aminoethyl acetate
Basic Information
CAS
1854-30-4
Multi CAS
No
Molecular Formula
C4H9NO2
Molecular Weight
103.120000
Exact Mass
103.063329
SMILES
CC(=O)OCCN
InChI
InChI=1S/C4H9NO2/c1-4(6)7-3-2-5/h2-3,5H2,1H3
InChIKey
HBVZRPAKZOLBPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
25.69
TPSA
52.32
LogP / Solubility
WLOGP
-0.49
MLOGP
-0.44
XLogP3
-0.8
Consensus LogP
-0.58
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
-0.05
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.16
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.7
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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