CAS RN: 1082469-10-0
1-(1,3,4-oxadiazol-2-yl)ethanamine hydrochloride
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.20250508 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1082469-10-0
- Purity/Analytical Methods: >99.0%
1082469-10-0 / 1-(1,3,4-oxadiazol-2-yl)ethanamine
1-(1,3,4-oxadiazol-2-yl)ethanamine | 1-(1,3,4-Oxadiazol-2-yl)ethan-1-amine | MFCD11109229
Basic Information
CAS
1082469-10-0
Multi CAS
No
Molecular Formula
C4H7N3O
Molecular Weight
113.120000
Exact Mass
113.058912
SMILES
CC(C1=NN=CO1)N
InChI
InChI=1S/C4H7N3O/c1-3(5)4-7-6-2-8-4/h2-3H,5H2,1H3
InChIKey
HQQXABTZXRCQIE-UHFFFAOYSA-N
Synonyms
1-(1,3,4-oxadiazol-2-yl)ethanamine
1-(1,3,4-Oxadiazol-2-yl)ethan-1-amine
MFCD11109229
starbld0040665
SCHEMBL22255597
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
26.9
TPSA
64.94
LogP / Solubility
WLOGP
0.09
MLOGP
0.07
XLogP3
-1
Consensus LogP
-0.28
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
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)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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