![CAS 85154-18-3 2-[(2-hydroxy-1-methylethyl)methylamino]propan-2-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/85154-18-3.gif)
CAS RN: 85154-18-3
2-[(2-hydroxy-1-methylethyl)methylamino]propan-2-ol
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251226 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS85154-18-3
- Purity/Analytical Methods: >99.0%
85154-18-3 / 2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
Basic Information
CAS
85154-18-3
Multi CAS
Yes
Molecular Formula
C7H17NO2
Molecular Weight
147.220000
Exact Mass
147.125929
InChI
InChI=1S/C7H17NO2/c1-6(5-9)8(4)7(2,3)10/h6,9-10H,5H2,1-4H3
InChIKey
GVPYQCRHYGKPDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.61
TPSA
43.7
LogP / Solubility
WLOGP
0.03
MLOGP
0.02
Consensus LogP
0.02
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
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)
-3.6
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
2
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