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CAS 1033716-68-5 tert-butyl 3-(isopropylamino)azetidine-1-carboxylate molecular structure lightbox
CAS RN: 1033716-68-5

tert-butyl 3-(isopropylamino)azetidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260419 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-004857
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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: ≥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 1033716-68-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1033716-68-5 / tert-butyl 3-(propan-2-ylamino)azetidine-1-carboxylate

tert-Butyl 3-[(propan-2-yl)amino]azetidine-1-carboxylate | TERT-BUTYL 3-(ISOPROPYLAMINO)AZETIDINE-1-CARBOXYLATE | MFCD11520620

Standard CAS: 1033716-68-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1033716-68-5
Multi CAS
No
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
SMILES
CC(C)NC1CN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O2/c1-8(2)12-9-6-13(7-9)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKey
DRLGAXOTTPDTQZ-UHFFFAOYSA-N
Synonyms
tert-Butyl 3-[(propan-2-yl)amino]azetidine-1-carboxylate TERT-BUTYL 3-(ISOPROPYLAMINO)AZETIDINE-1-CARBOXYLATE MFCD11520620 tert-butyl 3-(propan-2-ylamino)azetidine-1-carboxylate SCHEMBL12938724

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.87
TPSA
41.57

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
1.3
Consensus LogP
1.44
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
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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