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CAS 489438-95-1 3-Azabicyclo[3.1.0]hexane-3-carboxylicacid,1-amino-,1,1-dimethylethylester molecular structure lightbox
CAS RN: 489438-95-1

3-Azabicyclo[3.1.0]hexane-3-carboxylicacid,1-amino-,1,1-dimethylethylester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250131 100mg / 250mg / 500mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-155474
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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, 5g
  • 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 489438-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

489438-95-1 / tert-butyl 1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate

Standard CAS: 489438-95-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
489438-95-1
Multi CAS
No
Molecular Formula
C10H18N2O2
Molecular Weight
198.260000
Exact Mass
198.136828
InChI
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-5-7-4-10(7,11)6-12/h7H,4-6,11H2,1-3H3
InChIKey
RYGHDJBBUKJALE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.83
TPSA
55.56

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
0.2
Consensus LogP
0.66
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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