![CAS 483279-87-4 2-Azabicyclo[3.1.0]hexane-1-carboxylicacid,ethylester(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/483279-87-4.gif)
CAS RN: 483279-87-4
2-Azabicyclo[3.1.0]hexane-1-carboxylicacid,ethylester(9CI)
- Product code: SSC-155180
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
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
483279-87-4 / ethyl 2-azabicyclo[3.1.0]hexane-1-carboxylate
Basic Information
CAS
483279-87-4
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
InChI
InChI=1S/C8H13NO2/c1-2-11-7(10)8-5-6(8)3-4-9-8/h6,9H,2-5H2,1H3
InChIKey
FVXMHPBISAMATP-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
40.09
TPSA
38.33
LogP / Solubility
WLOGP
0.3
MLOGP
0.26
XLogP3
0.5
Consensus LogP
0.35
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-3.45
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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