CAS RN: 928038-36-2
1-(3-AZETIDINYL)-AZETIDINE DIHYDROCHLORIDE
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS928038-36-2
- Purity/Analytical Methods: >99.0%
928038-36-2 / 1-(azetidin-3-yl)azetidine;dihydrochloride
Basic Information
CAS
928038-36-2
Multi CAS
Yes
Molecular Formula
C6H14CL2N2
Molecular Weight
185.090000
Exact Mass
184.053404
InChI
InChI=1S/C6H12N2.2ClH/c1-2-8(3-1)6-4-7-5-6;;/h6-7H,1-5H2;2*1H
InChIKey
YPPQGGNUBRKDAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.34
TPSA
15.27
LogP / Solubility
WLOGP
0.51
MLOGP
0.44
XLogP3
0.51
Consensus LogP
0.49
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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