CAS RN: 53617-37-1
4-PYRROLIDIN-3-YLMORPHOLINE
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS53617-37-1
- Purity/Analytical Methods: >99.0%
53617-37-1 / 4-[(3S)-pyrrolidin-3-yl]morpholine
Basic Information
CAS
53617-37-1
Multi CAS
Yes
Molecular Formula
C8H16N2O
Molecular Weight
156.230000
Exact Mass
156.126263
InChI
InChI=1S/C8H16N2O/c1-2-9-7-8(1)10-3-5-11-6-4-10/h8-9H,1-7H2
InChIKey
OPJDRNMJJNFSNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.67
TPSA
24.5
LogP / Solubility
WLOGP
-0.32
MLOGP
-0.29
XLogP3
-0.3
Consensus LogP
-0.3
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
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)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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