![CAS 1251004-54-2 2-(TERT-BUTOXYCARBONYL)-2-AZABICYCLO[3.1.0]HEXANE-5-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251004-54-2.gif)
CAS RN: 1251004-54-2
2-(TERT-BUTOXYCARBONYL)-2-AZABICYCLO[3.1.0]HEXANE-5-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250602 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-029688
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: 0.05g, 0.1g, 0.25g, 1g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 0.05g | -- | 1 In Stock | Beijing | Inquiry |
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.05g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 0.1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
1251004-54-2 / 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-5-carboxylic acid
Basic Information
CAS
1251004-54-2
Multi CAS
No
Molecular Formula
C11H17NO4
Molecular Weight
227.260000
Exact Mass
227.115758
SMILES
CC(C)(C)OC(=O)N1CCC2(C1C2)C(=O)O
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-5-4-11(8(13)14)6-7(11)12/h7H,4-6H2,1-3H3,(H,13,14)
InChIKey
VWXMXVVMJQHITP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.03
TPSA
66.84
LogP / Solubility
WLOGP
1.47
MLOGP
1.3
XLogP3
0.8
Consensus LogP
1.19
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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