![CAS 2168116-64-9 tert-butyl n-{3-methylidenebicyclo[3.2.1]octan-8-ylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2168116-64-9.png)
CAS RN: 2168116-64-9
tert-butyl n-{3-methylidenebicyclo[3.2.1]octan-8-ylcarbamate
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.20250706 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-104187
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2168116-64-9 / tert-butyl N-(3-methylidene-8-bicyclo[3.2.1]octanyl)carbamate
Basic Information
CAS
2168116-64-9
Multi CAS
No
Molecular Formula
C14H23NO2
Molecular Weight
237.340000
Exact Mass
237.172879
SMILES
CC(C)(C)OC(=O)NC1C2CCC1CC(=C)C2
InChI
InChI=1S/C14H23NO2/c1-9-7-10-5-6-11(8-9)12(10)15-13(16)17-14(2,3)4/h10-12H,1,5-8H2,2-4H3,(H,15,16)
InChIKey
XBVAYOLUNWQDCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.75
TPSA
38.33
LogP / Solubility
WLOGP
3.26
MLOGP
2.87
XLogP3
2.8
Consensus LogP
2.98
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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