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CAS 179236-79-4 3-Azabicyclo[3.1.0]hexane-6-carboxylicacid,ethylester(9CI) molecular structure lightbox
CAS RN: 179236-79-4

3-Azabicyclo[3.1.0]hexane-6-carboxylicacid,ethylester(9CI)

  • Product code: SSC-079859
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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, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 179236-79-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

179236-79-4 / ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate

Standard CAS: 179236-79-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
179236-79-4
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
SMILES
CCOC(=O)C1C2C1CNC2
InChI
InChI=1S/C8H13NO2/c1-2-11-8(10)7-5-3-9-4-6(5)7/h5-7,9H,2-4H2,1H3
InChIKey
LLYQBDZAXNIXQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.97
TPSA
38.33

LogP / Solubility

WLOGP
0.01
MLOGP
0.01
XLogP3
0.1
Consensus LogP
0.04
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-3.66

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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