CAS RN: 4402-30-6
N-METHYLDIISOPROPANOLAMINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250301 | 1kg / 5kg / 20kg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS4402-30-6
- Purity/Analytical Methods: >99.0%
4402-30-6 / 1-[2-hydroxypropyl(methyl)amino]propan-2-ol
Basic Information
CAS
4402-30-6
Multi CAS
Yes
Molecular Formula
C7H17NO2
Molecular Weight
147.220000
Exact Mass
147.125929
InChI
InChI=1S/C7H17NO2/c1-6(9)4-8(3)5-7(2)10/h6-7,9-10H,4-5H2,1-3H3
InChIKey
XKQMKMVTDKYWOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.86
TPSA
43.7
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.29
XLogP3
-0.2
Consensus LogP
-0.27
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.83
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)
-3.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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