CAS RN: 492-27-3
Kynurenic Acid Hydrate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250121 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260515 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250524 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250417 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20251029 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: ICTH0303
- Purity/Analytical Methods: >98.0%(T)(HPLC)
492-27-3 / 4-oxo-1H-quinoline-2-carboxylic acid
Basic Information
CAS
492-27-3
Multi CAS
Yes
Molecular Formula
C10H7NO3
Molecular Weight
189.170000
Exact Mass
189.042593
InChI
InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
InChIKey
HCZHHEIFKROPDY-UHFFFAOYSA-N
Physical Properties
Melting Point
280 °C
Physical Description
Yellow solid; [Merck Index] Yellow needles;
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.53
TPSA
70.16
LogP / Solubility
WLOGP
1.23
MLOGP
1.08
XLogP3
1.3
Consensus LogP
1.2
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
