![CAS 1250995-41-5 3-Boc-3-azabicyclo[3.1.1]heptane-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250995-41-5.gif)
CAS RN: 1250995-41-5
3-Boc-3-azabicyclo[3.1.1]heptane-6-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.20250510 | 25mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-029626
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
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 1g | >97% | 0 Out of Stock | Beijing | Inquiry |
1250995-41-5 / (1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-6-carboxylic acid
Basic Information
CAS
1250995-41-5
Multi CAS
No
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)C2C(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-5-7-4-8(6-13)9(7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKey
OQCJMHMUVJXYQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.53
TPSA
66.84
LogP / Solubility
WLOGP
1.57
MLOGP
1.39
XLogP3
1.1
Consensus LogP
1.35
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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