CAS RN: 199926-39-1
Chelidamic Acid Monohydrate
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250326 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260222 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250917 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260126 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20250719 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250306 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250117 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: SSC-094126
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: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
199926-39-1 / 4-oxo-1H-pyridine-2,6-dicarboxylic acid;hydrate
Basic Information
CAS
199926-39-1
Multi CAS
No
Molecular Formula
C7H7NO6
Molecular Weight
201.130000
Exact Mass
201.027337
SMILES
C1=C(NC(=CC1=O)C(=O)O)C(=O)O.O
InChI
InChI=1S/C7H5NO5.H2O/c9-3-1-4(6(10)11)8-5(2-3)7(12)13;/h1-2H,(H,8,9)(H,10,11)(H,12,13);1H2
InChIKey
SNGPHFVJWBKEDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
44.6
TPSA
138.96
LogP / Solubility
WLOGP
-1.05
MLOGP
-0.93
XLogP3
-1.05
Consensus LogP
-1.01
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very 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)
-4.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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