CAS RN: 16907-79-2
Quinaldic Acid Sodium Salt
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.20250428 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-073719
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 | Beijing | Inquiry |
16907-79-2 / sodium quinoline-2-carboxylate
Basic Information
CAS
16907-79-2
Multi CAS
No
Molecular Formula
C10H6NNaO2
Molecular Weight
195.150000
Exact Mass
195.029623
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(=O)[O-].[Na+]
InChI
InChI=1S/C10H7NO2.Na/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h1-6H,(H,12,13);/q;+1/p-1
InChIKey
PLTCLMZAIZEHGD-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.07
TPSA
53.02
LogP / Solubility
WLOGP
-2.4
MLOGP
-2.11
XLogP3
-2.4
Consensus LogP
-2.3
Class (ESOL)
Very soluble
Log S (Ali)
0.57
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.94
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
