CAS RN: 25566-04-5
3-Phenylazetidin-3-ol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250919 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS25566-04-5
- Purity/Analytical Methods: >99.0%
25566-04-5 / 3-phenylazetidin-3-ol
Basic Information
CAS
25566-04-5
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
C1C(CN1)(C2=CC=CC=C2)O
InChI
InChI=1S/C9H11NO/c11-9(6-10-7-9)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
InChIKey
BCCJGJCXMIOABO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.21
TPSA
32.26
LogP / Solubility
WLOGP
0.48
MLOGP
0.41
XLogP3
0.2
Consensus LogP
0.36
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.29
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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