CAS RN: 54149-64-3
O-(2-Methyl-allyl)-hydroxylamine 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.20260613 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54149-64-3
- Purity/Analytical Methods: >99.0%
54149-64-3 / O-(2-methylprop-2-enyl)hydroxylamine;hydrochloride
Basic Information
CAS
54149-64-3
Multi CAS
No
Molecular Formula
C4H10CLNO
Molecular Weight
123.580000
Exact Mass
123.045092
InChI
InChI=1S/C4H9NO.ClH/c1-4(2)3-6-5;/h1,3,5H2,2H3;1H
InChIKey
VRGVYBHREJFCJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.2
TPSA
35.25
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
0.87
Consensus LogP
0.83
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-2.85
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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- CAS RN: 54160-63-3
- Product Code: starshine_CAS54160-63-3
- Purity/Analytical method: >99.0%
