CAS RN: 28123-89-9
2-(prop-2-yn-1-ylamino)ethan-1-ol
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.20260322 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS28123-89-9
- Purity/Analytical Methods: >99.0%
28123-89-9 / 2-(prop-2-ynylamino)ethanol
Basic Information
CAS
28123-89-9
Multi CAS
No
Molecular Formula
C5H9NO
Molecular Weight
99.130000
Exact Mass
99.068414
InChI
InChI=1S/C5H9NO/c1-2-3-6-4-5-7/h1,6-7H,3-5H2
InChIKey
VNZRQMZOCPCQFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28.79
TPSA
32.26
LogP / Solubility
WLOGP
-0.8
MLOGP
-0.71
XLogP3
-0.8
Consensus LogP
-0.77
Log S (ESOL)
0.25
Class (ESOL)
Highly soluble
Log S (Ali)
0.2
Class (Ali)
Highly soluble
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)
-3.89
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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