CAS RN: 133891-73-3
1-(DIPHENYLMETHYL)-2,2-DIMETHYLAZETIDIN-3-AMINE
- Product code: SSC-040927
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
133891-73-3 / 1-benzhydryl-2,2-dimethylazetidin-3-amine
Basic Information
CAS
133891-73-3
Multi CAS
No
Molecular Formula
C18H22N2
Molecular Weight
266.400000
Exact Mass
266.178299
SMILES
CC1(C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)N)C
InChI
InChI=1S/C18H22N2/c1-18(2)16(19)13-20(18)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,13,19H2,1-2H3
InChIKey
HAPPJJHFYIZSBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.49
TPSA
29.26
LogP / Solubility
WLOGP
3.2
MLOGP
2.82
XLogP3
3
Consensus LogP
3.01
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly 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)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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