![CAS 1363383-36-1 tert-Butyl 6-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363383-36-1.gif)
CAS RN: 1363383-36-1
tert-Butyl 6-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate
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.20251109 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-045408
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: 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 | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
1363383-36-1 / tert-butyl 6-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate
Basic Information
CAS
1363383-36-1
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC(C)(C)OC(=O)N1CC2CC(C1)C2CO
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-5-8-4-9(6-13)10(8)7-14/h8-10,14H,4-7H2,1-3H3
InChIKey
XDTLBQKKUHTYLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.98
TPSA
49.77
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1.1
Consensus LogP
1.3
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-3.05
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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