CAS RN: 87787-67-5
2-(2-tert-butylaminoethoxy)ethanol
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 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS87787-67-5
- Purity/Analytical Methods: >99.0%
87787-67-5 / 2-[2-(tert-butylamino)ethoxy]ethanol
Basic Information
CAS
87787-67-5
Multi CAS
No
Molecular Formula
C8H19NO2
Molecular Weight
161.240000
Exact Mass
161.141579
InChI
InChI=1S/C8H19NO2/c1-8(2,3)9-4-6-11-7-5-10/h9-10H,4-7H2,1-3H3
InChIKey
YDEDDFNFQOPRQJ-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.66
TPSA
41.49
LogP / Solubility
WLOGP
0.38
MLOGP
0.33
XLogP3
-0.1
Consensus LogP
0.2
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-3.43
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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