CAS RN: 133891-59-5
1-(DIPHENYLMETHYL)-3-METHYL-3-AZETIDINEMETHANAMINE
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.20250512 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS133891-59-5
- Purity/Analytical Methods: >99.0%
133891-59-5 / (1-benzhydryl-3-methylazetidin-3-yl)methanamine
Basic Information
CAS
133891-59-5
Multi CAS
No
Molecular Formula
C18H22N2
Molecular Weight
266.400000
Exact Mass
266.178299
SMILES
CC1(CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)CN
InChI
InChI=1S/C18H22N2/c1-18(12-19)13-20(14-18)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14,19H2,1H3
InChIKey
KTWVMLPQUBNZIM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.46
TPSA
29.26
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
2.9
Consensus LogP
2.89
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.41
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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