CAS RN: 133891-86-8
1-(Diphenylmethyl)-3-methyl-3-azetidinol hydrochloride
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.20250720 | 5g / 10g / 25g | Out of stock | 1 business days | Inquiry |
- Product code: SSC-040929
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
133891-86-8 / 1-benzhydryl-3-methylazetidin-3-ol;hydrochloride
Basic Information
CAS
133891-86-8
Multi CAS
No
Molecular Formula
C17H20ClNO
Molecular Weight
289.800000
Exact Mass
289.123342
SMILES
CC1(CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl
InChI
InChI=1S/C17H19NO.ClH/c1-17(19)12-18(13-17)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-11,16,19H,12-13H2,1H3;1H
InChIKey
ASMPVJOSECQRDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
84.17
TPSA
23.47
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
3.26
Consensus LogP
3.13
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
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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