CAS RN: 70189-88-7
3-(propylamino)propane-1,2-diol
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.20250430 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS70189-88-7
- Purity/Analytical Methods: >99.0%
70189-88-7 / 3-(propylamino)propane-1,2-diol
Basic Information
CAS
70189-88-7
Multi CAS
No
Molecular Formula
C6H15NO2
Molecular Weight
133.190000
Exact Mass
133.110279
InChI
InChI=1S/C6H15NO2/c1-2-3-7-4-6(9)5-8/h6-9H,2-5H2,1H3
InChIKey
DFLPEEAGRQDYGF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.25
TPSA
52.49
LogP / Solubility
WLOGP
-0.66
MLOGP
-0.59
XLogP3
-0.6
Consensus LogP
-0.62
Log S (ESOL)
0.08
Class (ESOL)
Highly soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4
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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