CAS RN: 1257293-85-8
1-(Azetidin-3-yl)azetidin-3-ol
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.20250507 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1257293-85-8
- Purity/Analytical Methods: >99.0%
1257293-85-8 / 1-(azetidin-3-yl)azetidin-3-ol
Basic Information
CAS
1257293-85-8
Multi CAS
No
Molecular Formula
C6H12N2O
Molecular Weight
128.170000
Exact Mass
128.094963
SMILES
C1C(CN1)N2CC(C2)O
InChI
InChI=1S/C6H12N2O/c9-6-3-8(4-6)5-1-7-2-5/h5-7,9H,1-4H2
InChIKey
JAPZEBGUFUANNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.24
TPSA
35.5
LogP / Solubility
WLOGP
-1.37
MLOGP
-1.21
XLogP3
-1.2
Consensus LogP
-1.26
Log S (ESOL)
0.29
Class (ESOL)
Highly soluble
Log S (Ali)
0.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.52
Class (SILICOS-IT)
Highly 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)
-4.47
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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