CAS RN: 2089291-69-8
2-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)ethan-1-amine 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.20260408 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-098246
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: 0.25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
2089291-69-8 / 2-(3-but-3-ynyldiazirin-3-yl)ethanamine;hydrochloride
Basic Information
CAS
2089291-69-8
Multi CAS
No
Molecular Formula
C7H12ClN3
Molecular Weight
173.640000
Exact Mass
173.071975
SMILES
C#CCCC1(N=N1)CCN.Cl
InChI
InChI=1S/C7H11N3.ClH/c1-2-3-4-7(5-6-8)9-10-7;/h1H,3-6,8H2;1H
InChIKey
OXSFKWVZMRKXIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.57
TPSA
50.74
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1.33
Consensus LogP
1.28
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately 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)
-2.83
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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