![CAS 871727-37-6 ethyl (1r,3r,5r)-2-boc-2-azabicyclo[3.1.0]hexane-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/871727-37-6.gif)
CAS RN: 871727-37-6
ethyl (1r,3r,5r)-2-boc-2-azabicyclo[3.1.0]hexane-3-carboxylate
- Product code: SSC-196832
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: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 9
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | -- | 0 Out of Stock | Shanghai | Inquiry |
871727-37-6 / 2-O-tert-butyl 3-O-ethyl 2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate
Basic Information
CAS
871727-37-6
Multi CAS
Yes
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
InChI
InChI=1S/C13H21NO4/c1-5-17-11(15)10-7-8-6-9(8)14(10)12(16)18-13(2,3)4/h8-10H,5-7H2,1-4H3/t8-,9-,10-/m1/s1
InChIKey
QHWOZJGWXZDMDZ-OPRDCNLKSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
65.01
TPSA
55.84
LogP / Solubility
WLOGP
1.95
MLOGP
1.72
XLogP3
2
Consensus LogP
1.89
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 871727-40-1 (1S,3R,5S)-2-tert-Butyl 3-ethyl 2-azabicyclo[3.1.0]hexane-2,3-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/871727-40-1.gif)
