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CAS 1159736-25-0 3-Boc-aMino-3-oxetanecarboxylic acid molecular structure lightbox
CAS RN: 1159736-25-0

3-Boc-aMino-3-oxetanecarboxylic acid

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250609 100mg In stock Shanghai Inquiry
Batchno.20250217 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250226 250mg In stock Shanghai Inquiry
Batchno.20250217 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250205 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-015849
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • 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 1159736-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1159736-25-0 / 3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-3-carboxylic acid

3-(BOC-AMINO)OXETANE-3-CARBOXYLIC ACID | RefChem:494339 | 817-785-8

Standard CAS: 1159736-25-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1159736-25-0
Multi CAS
Yes
Molecular Formula
C9H15NO5
Molecular Weight
217.220000
Exact Mass
217.095023
SMILES
CC(C)(C)OC(=O)NC1(COC1)C(=O)O
InChI
InChI=1S/C9H15NO5/c1-8(2,3)15-7(13)10-9(6(11)12)4-14-5-9/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKey
IIINBAWOESLQTR-UHFFFAOYSA-N
Synonyms
3-(BOC-AMINO)OXETANE-3-CARBOXYLIC ACID RefChem:494339 817-785-8 3-((TERT-BUTOXYCARBONYL)AMINO)OXETANE-3-CARBOXYLIC ACID MFCD17215905

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.56
TPSA
84.86

LogP / Solubility

WLOGP
0.36
MLOGP
0.32
Consensus LogP
0.23
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-3.79

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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