CAS RN: 1263094-00-3
7-Chlorokynurenic acid sodium salt
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250923 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1263094-00-3
- Purity/Analytical Methods: >99.0%
1263094-00-3 / sodium 7-chloro-4-oxo-1H-quinoline-2-carboxylate
Basic Information
CAS
1263094-00-3
Multi CAS
No
Molecular Formula
C10H5ClNNaO3
Molecular Weight
245.590000
Exact Mass
244.985565
SMILES
C1=CC2=C(C=C1Cl)NC(=CC2=O)C(=O)[O-].[Na+]
InChI
InChI=1S/C10H6ClNO3.Na/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13;/h1-4H,(H,12,13)(H,14,15);/q;+1/p-1
InChIKey
IFZYIORLNGNLEI-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.91
TPSA
72.99
LogP / Solubility
WLOGP
-2.45
MLOGP
-2.15
XLogP3
-2.45
Consensus LogP
-2.35
Log S (ESOL)
-0.22
Class (ESOL)
Very soluble
Log S (Ali)
0.2
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.66
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)
-5.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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