![CAS 1252672-88-0 Benzyl 4-cyanobicyclo[2.2.2]octan-1-ylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1252672-88-0.gif)
CAS RN: 1252672-88-0
Benzyl 4-cyanobicyclo[2.2.2]octan-1-ylcarbamate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260426 | 100mg | Out of stock | Inquiry |
- Product code: SSC-029994
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: 1g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
1252672-88-0 / benzyl N-(4-cyano-1-bicyclo[2.2.2]octanyl)carbamate
Basic Information
CAS
1252672-88-0
Multi CAS
No
Molecular Formula
C17H20N2O2
Molecular Weight
284.350000
Exact Mass
284.152478
SMILES
C1CC2(CCC1(CC2)C#N)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O2/c18-13-16-6-9-17(10-7-16,11-8-16)19-15(20)21-12-14-4-2-1-3-5-14/h1-5H,6-12H2,(H,19,20)
InChIKey
AMPXLEPLPYICLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.24
TPSA
62.12
LogP / Solubility
WLOGP
3.53
MLOGP
3.12
XLogP3
2.6
Consensus LogP
3.08
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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