CAS RN: 259809-46-6
TERT-BUTYL 2-CYANO-7,8-DIHYDRO-1,6-NAPHTHYRIDINE-6(5H)-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.20250430 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-122763
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
259809-46-6 / tert-butyl 2-cyano-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
Basic Information
CAS
259809-46-6
Multi CAS
No
Molecular Formula
C14H17N3O2
Molecular Weight
259.300000
Exact Mass
259.132077
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=N2)C#N
InChI
InChI=1S/C14H17N3O2/c1-14(2,3)19-13(18)17-7-6-12-10(9-17)4-5-11(8-15)16-12/h4-5H,6-7,9H2,1-3H3
InChIKey
FYOTYCXSXHSVHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
69.3
TPSA
66.22
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
1.7
Consensus LogP
1.98
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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