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CAS 1427359-44-1 tert-butyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate molecular structure lightbox
CAS RN: 1427359-44-1

tert-butyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250328 1g Out of stock 15 business days Inquiry
  • Product code: SSC-053623
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1427359-44-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1427359-44-1 / tert-butyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate

Standard CAS: 1427359-44-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427359-44-1
Multi CAS
No
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CC(C)(C)OC(=O)N1CC2CC(C1)C2N
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-7-4-8(6-13)9(7)12/h7-9H,4-6,12H2,1-3H3
InChIKey
DGXZHHKGGSODLS-UHFFFAOYSA-N

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
57.38
TPSA
55.56

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
0.7
Consensus LogP
0.99
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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