CAS RN: 869308-36-1
AMINO-TEG-DIOL
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.20260607 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS869308-36-1
- Purity/Analytical Methods: >99.0%
869308-36-1 / 3-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethoxy]propane-1,2-diol
Basic Information
CAS
869308-36-1
Multi CAS
No
Molecular Formula
C12H27NO6
Molecular Weight
281.350000
Exact Mass
281.183838
InChI
InChI=1S/C12H27NO6/c13-2-1-3-16-4-5-17-6-7-18-8-9-19-11-12(15)10-14/h12,14-15H,1-11,13H2
InChIKey
NMDYUHXIQMXZMK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
3
Molar refractivity
70.04
TPSA
103.4
LogP / Solubility
WLOGP
-1.25
MLOGP
-1.09
XLogP3
-2.2
Consensus LogP
-1.51
Log S (ESOL)
0.19
Class (ESOL)
Highly soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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