![CAS 956794-92-6 benzyl (1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/956794-92-6.gif)
CAS RN: 956794-92-6
benzyl (1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-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.20251008 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-211248
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 |
956794-92-6 / benzyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate
Basic Information
CAS
956794-92-6
Multi CAS
Yes
Molecular Formula
C14H18N2O2
Molecular Weight
246.300000
Exact Mass
246.136828
InChI
InChI=1S/C14H18N2O2/c17-14(18-10-11-4-2-1-3-5-11)16-12-6-7-13(16)9-15-8-12/h1-5,12-13,15H,6-10H2
InChIKey
PTTFWQHWHMDPNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.15
TPSA
41.57
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.97
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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