CAS RN: 59981-03-2
(S)-2-aminopropanenitrile 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.20260210 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS59981-03-2
- Purity/Analytical Methods: >99.0%
59981-03-2 / (2S)-2-aminopropanenitrile;hydrochloride
Basic Information
CAS
59981-03-2
Multi CAS
No
Molecular Formula
C3H7CLN2
Molecular Weight
106.550000
Exact Mass
106.029776
InChI
InChI=1S/C3H6N2.ClH/c1-3(5)2-4;/h3H,5H2,1H3;1H/t3-;/m0./s1
InChIKey
WJGQCCPNVRCAQI-DFWYDOINSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.51
TPSA
49.81
LogP / Solubility
WLOGP
0.28
MLOGP
0.23
XLogP3
0.28
Consensus LogP
0.26
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
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)
-3.17
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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