CAS RN: 55438-58-9
3-Azetidinamine,1-ethyl-(9CI)
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.20250930 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55438-58-9
- Purity/Analytical Methods: >99.0%
55438-58-9 / 1-ethylazetidin-3-amine
Basic Information
CAS
55438-58-9
Multi CAS
No
Molecular Formula
C5H12N2
Molecular Weight
100.160000
Exact Mass
100.100048
InChI
InChI=1S/C5H12N2/c1-2-7-3-5(6)4-7/h5H,2-4,6H2,1H3
InChIKey
ONLNTZCAUWRAJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.09
TPSA
29.26
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.32
XLogP3
-0.5
Consensus LogP
-0.39
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.14
Class (SILICOS-IT)
Very 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)
-3.58
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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