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CAS 153789-13-0 tert-butyl 7-azabicyclo[4.1.0]heptane-7-carboxylate molecular structure lightbox
CAS RN: 153789-13-0

tert-butyl 7-azabicyclo[4.1.0]heptane-7-carboxylate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250903 100mg In stock Shanghai Inquiry
Batchno.20260611 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20251117 1g In stock Shanghai Inquiry
Batchno.20250711 250mg In stock Shanghai Inquiry
Batchno.20250204 5g In stock Shanghai Inquiry
  • Product code: SSC-063167
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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 153789-13-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

153789-13-0 / tert-butyl 7-azabicyclo[4.1.0]heptane-7-carboxylate

Standard CAS: 153789-13-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153789-13-0
Multi CAS
No
Molecular Formula
C11H19NO2
Molecular Weight
197.270000
Exact Mass
197.141579
SMILES
CC(C)(C)OC(=O)N1C2C1CCCC2
InChI
InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-8-6-4-5-7-9(8)12/h8-9H,4-7H2,1-3H3
InChIKey
BWBYMNXVYXQBGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.12
TPSA
29.31

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
2.2
Consensus LogP
2.33
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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