CAS RN: 1172088-56-0
2-(5-Methyl-1,3,4-oxadiazol-2-yl)ethanaMine hydrochloride
- Product code: SSC-017092
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1172088-56-0 / 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine Hydrochloride | DTXSID80434824 | RefChem:252936
Basic Information
CAS
1172088-56-0
Multi CAS
Yes
Molecular Formula
C5H10ClN3O
Molecular Weight
163.600000
Exact Mass
163.051240
SMILES
CC1=NN=C(O1)CCN.Cl
InChI
InChI=1S/C4H7N3O.ClH/c1-3-6-7-4(2-5)8-3;/h2,5H2,1H3;1H
InChIKey
QXUKUCKOYMDDRY-UHFFFAOYSA-N
Synonyms
2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine Hydrochloride
DTXSID80434824
RefChem:252936
DTXCID30385650
2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.04
TPSA
64.94
LogP / Solubility
WLOGP
0.3
MLOGP
0.26
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
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)
-3.5
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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