![CAS 1401031-37-5 2-(9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)acetonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1401031-37-5(2).gif)
CAS RN: 1401031-37-5
2-(9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)acetonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250104 | 250mg / 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
- Product code: SSC-050589
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1401031-37-5 / 2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)acetonitrile
Basic Information
CAS
1401031-37-5
Multi CAS
No
Molecular Formula
C16H20N2O
Molecular Weight
256.340000
Exact Mass
256.157563
SMILES
C1CCC2(C1)CC(CCO2)(CC#N)C3=CC=CC=N3
InChI
InChI=1S/C16H20N2O/c17-10-8-15(14-5-1-4-11-18-14)9-12-19-16(13-15)6-2-3-7-16/h1,4-5,11H,2-3,6-9,12-13H2
InChIKey
AJVYDBCIZBRGAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
72.53
TPSA
45.91
LogP / Solubility
WLOGP
3.36
MLOGP
2.96
XLogP3
2.1
Consensus LogP
2.81
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
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)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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