CAS RN: 950691-63-1
methyl 1-(diphenylmethyl)-3-hydroxyazetidine-3-carboxylate
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.20250216 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-210275
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
950691-63-1 / methyl 1-benzhydryl-3-hydroxyazetidine-3-carboxylate
Basic Information
CAS
950691-63-1
Multi CAS
No
Molecular Formula
C18H19NO3
Molecular Weight
297.300000
Exact Mass
297.136493
InChI
InChI=1S/C18H19NO3/c1-22-17(20)18(21)12-19(13-18)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,21H,12-13H2,1H3
InChIKey
YJUZLNDEYLMQPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.27
TPSA
49.77
LogP / Solubility
WLOGP
2
MLOGP
1.77
XLogP3
2.3
Consensus LogP
2.02
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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