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CAS 1262412-13-4 1-Boc-3-aMino-3-azetidinecarboxylic acid molecular structure lightbox
CAS RN: 1262412-13-4

1-Boc-3-aMino-3-azetidinecarboxylic acid

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250804 100mg In stock Shanghai Inquiry
Batchno.20250110 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260527 250mg In stock Shanghai Inquiry
Batchno.20260220 25g In stock Shanghai Inquiry
Batchno.20260330 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260622 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-033139
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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 1262412-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1262412-13-4 / 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid

Standard CAS: 1262412-13-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262412-13-4
Multi CAS
No
Molecular Formula
C9H16N2O4
Molecular Weight
216.230000
Exact Mass
216.111007
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)N
InChI
InChI=1S/C9H16N2O4/c1-8(2,3)15-7(14)11-4-9(10,5-11)6(12)13/h4-5,10H2,1-3H3,(H,12,13)
InChIKey
XQGUPRXBCKPKJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.36
TPSA
92.86

LogP / Solubility

WLOGP
0.02
MLOGP
0.02
XLogP3
-2.9
Consensus LogP
-0.95
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.03

Drug-likeness / Medicinal Chemistry

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

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