![CAS 869494-16-6 3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/869494-16-6.gif)
CAS RN: 869494-16-6
3,6-Diazabicyclo[3.1.1]heptane-6-carboxylic acid tert-butyl ester
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250824 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260125 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260526 | 10g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20251230 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260202 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260419 | 25g | In stock | Tianjin | Inquiry |
| Batchno.20260107 | 500g | Out of stock | Inquiry | |
| Batchno.20250820 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-196299
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: 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.25g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 5 In Stock | Shanghai | Inquiry |
| 100g | >98% | 5 In Stock | Shanghai | Inquiry |
869494-16-6 / tert-butyl (1R,5S)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
Basic Information
CAS
869494-16-6
Multi CAS
Yes
Molecular Formula
C10H18N2O2
Molecular Weight
198.260000
Exact Mass
198.136828
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-7-4-8(12)6-11-5-7/h7-8,11H,4-6H2,1-3H3
InChIKey
OUFBVDKNEWUFHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.14
TPSA
41.57
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
0.7
Consensus LogP
0.84
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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