CAS RN: 2227199-01-9
(3S)-1-benzhydryl-2,2-dimethyl-azetidin-3-ol
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.20260608 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-107431
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2227199-01-9 / (3S)-1-benzhydryl-2,2-dimethylazetidin-3-ol
Basic Information
CAS
2227199-01-9
Multi CAS
No
Molecular Formula
C18H21NO
Molecular Weight
267.400000
Exact Mass
267.162314
SMILES
CC1([C@H](CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O)C
InChI
InChI=1S/C18H21NO/c1-18(2)16(20)13-19(18)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,20H,13H2,1-2H3/t16-/m0/s1
InChIKey
YRDDKKNUZORKDG-INIZCTEOSA-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
81.52
TPSA
23.47
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
3.2
Consensus LogP
3.09
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
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)
-2.06
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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