CAS RN: 72351-68-9
1-BENZHYDRYL-2-HYDROXYMETHYL-AZETIDINE
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.20260218 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS72351-68-9
- Purity/Analytical Methods: >99.0%
72351-68-9 / (1-benzhydrylazetidin-2-yl)methanol
Basic Information
CAS
72351-68-9
Multi CAS
No
Molecular Formula
C17H19NO
Molecular Weight
253.340000
Exact Mass
253.146664
InChI
InChI=1S/C17H19NO/c19-13-16-11-12-18(16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2
InChIKey
ZQFMLZHAZJYUOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.92
TPSA
23.47
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
3
Consensus LogP
2.78
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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