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CAS 1026796-28-0 tert-Butyl 3-(1H-pyrazol-1-yl)azetidine-1-carboxylate molecular structure lightbox
CAS RN: 1026796-28-0

tert-Butyl 3-(1H-pyrazol-1-yl)azetidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250617 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-003970
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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 1026796-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Hong Kong Inquiry
0.25g ＞95% 0 Out of Stock Shanghai Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1026796-28-0 / tert-butyl 3-pyrazol-1-ylazetidine-1-carboxylate

tert-Butyl 3-(1H-pyrazol-1-yl)azetidine-1-carboxylate | 3-PYRAZOL-1-YL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER | tert-butyl 3-pyrazol-1-ylazetidine-1-carboxylate

Standard CAS: 1026796-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1026796-28-0
Multi CAS
No
Molecular Formula
C11H17N3O2
Molecular Weight
223.270000
Exact Mass
223.132077
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C=CC=N2
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)13-7-9(8-13)14-6-4-5-12-14/h4-6,9H,7-8H2,1-3H3
InChIKey
RSLOPVJCESONOY-UHFFFAOYSA-N
Synonyms
tert-Butyl 3-(1H-pyrazol-1-yl)azetidine-1-carboxylate 3-PYRAZOL-1-YL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER tert-butyl 3-pyrazol-1-ylazetidine-1-carboxylate MFCD16140211 SCHEMBL15941947

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
59.07
TPSA
47.36

LogP / Solubility

WLOGP
1.67
MLOGP
1.48
XLogP3
0.9
Consensus LogP
1.35
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.89

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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