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CAS 916421-36-8 TERT-BUTYL 3-(4-AMINOPHENYL)AZETIDINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 916421-36-8

TERT-BUTYL 3-(4-AMINOPHENYL)AZETIDINE-1-CARBOXYLATE

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250418 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260613 100mg In stock Shanghai Inquiry
Batchno.20250810 1g In stock Shanghai Inquiry
Batchno.20250217 250mg In stock Shanghai Inquiry
Batchno.20251201 5g In stock Shanghai Inquiry
  • Product code: SSC-204992
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 10g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 916421-36-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
10g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

916421-36-8 / tert-butyl 3-(4-aminophenyl)azetidine-1-carboxylate

Standard CAS: 916421-36-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
916421-36-8
Multi CAS
No
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-8-11(9-16)10-4-6-12(15)7-5-10/h4-7,11H,8-9,15H2,1-3H3
InChIKey
XCLKFXTWLPMSFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.4
TPSA
55.56

LogP / Solubility

WLOGP
2.6
MLOGP
2.3
XLogP3
2
Consensus LogP
2.3
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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