![CAS 177793-79-2 (1S)-N-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-1,2,3,4-tetrahydro-1-naphthalenecarboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/177793-79-2.gif)
CAS RN: 177793-79-2
(1S)-N-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-1,2,3,4-tetrahydro-1-naphthalenecarboxaMide
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251023 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250528 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250619 | 1g | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250210 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250505 | 5g | Out of stock | Inquiry |
- Product code: SSC-077716
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 |
177793-79-2 / (1S)-N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
Basic Information
CAS
177793-79-2
Multi CAS
No
Molecular Formula
C18H24N2O
Molecular Weight
284.400000
Exact Mass
284.188863
SMILES
C1C[C@@H](C2=CC=CC=C2C1)C(=O)N[C@@H]3CN4CCC3CC4
InChI
InChI=1S/C18H24N2O/c21-18(19-17-12-20-10-8-14(17)9-11-20)16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,14,16-17H,3,5,7-12H2,(H,19,21)/t16-,17+/m0/s1
InChIKey
KOAZNWLKDYIEHQ-DLBZAZTESA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.22
TPSA
32.34
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
2.7
Consensus LogP
2.36
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly 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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6.5
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