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, 5g
- Available purity: ≥97%
- Inventory rows with stock: 4
- 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 | Beijing | Inquiry |
| 0.1g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
23616-29-7 / 1H-1,6-naphthyridin-2-one
Basic Information
CAS
23616-29-7
Multi CAS
No
Molecular Formula
C8H6N2O
Molecular Weight
146.150000
Exact Mass
146.048013
SMILES
C1=CC(=O)NC2=C1C=NC=C2
InChI
InChI=1S/C8H6N2O/c11-8-2-1-6-5-9-4-3-7(6)10-8/h1-5H,(H,10,11)
InChIKey
ZQKMVHXJWJNEQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.36
TPSA
45.75
LogP / Solubility
WLOGP
0.92
MLOGP
0.81
XLogP3
0.3
Consensus LogP
0.68
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
