CAS RN: 34901-14-9
Polyethylene Glycol Bis(3-aminopropyl) Ether
Product Availability
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4 package records4 with current stock1 grade group
- Product code: ICTP1948
34901-14-9 / 3-[2-(3-aminopropoxy)ethoxy]propan-1-amine
Basic Information
CAS
34901-14-9
Multi CAS
Yes
Molecular Formula
C8H20N2O2
Molecular Weight
176.260000
Exact Mass
176.152478
InChI
InChI=1S/C8H20N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-10H2
InChIKey
POTQBGGWSWSMCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.98
TPSA
70.5
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.25
XLogP3
-1.2
Consensus LogP
-0.58
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.65
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)
-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
1.5
