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CAS 197020-60-3 1-Aziridinecarboxylicacid,2-methyl-,1,1-dimethylethylester,(2S)-(9CI) molecular structure lightbox
CAS RN: 197020-60-3

1-Aziridinecarboxylicacid,2-methyl-,1,1-dimethylethylester,(2S)-(9CI)

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250526 100mg / 250mg / 1g / 5g / 10g Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260612 100mg In stock Shanghai Inquiry
Batchno.20260319 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250816 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20250101 5g Out of stock Inquiry
  • Product code: SSC-092947
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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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 197020-60-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

197020-60-3 / tert-butyl (2S)-2-methylaziridine-1-carboxylate

Standard CAS: 197020-60-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197020-60-3
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
SMILES
C[C@H]1CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C8H15NO2/c1-6-5-9(6)7(10)11-8(2,3)4/h6H,5H2,1-4H3/t6-,9?/m0/s1
InChIKey
VQLIJOWSVJKBFP-AADKRJSRSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.4
TPSA
29.31

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
1.3
Consensus LogP
1.45
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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