CAS RN: 2173991-82-5
sodium quinazoline-5-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250210 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2173991-82-5
- Purity/Analytical Methods: >99.0%
2173991-82-5 / sodium quinazoline-5-carboxylate
Basic Information
CAS
2173991-82-5
Multi CAS
No
Molecular Formula
C9H5N2NaO2
Molecular Weight
196.140000
Exact Mass
196.024872
SMILES
C1=CC(=C2C=NC=NC2=C1)C(=O)[O-].[Na+]
InChI
InChI=1S/C9H6N2O2.Na/c12-9(13)6-2-1-3-8-7(6)4-10-5-11-8;/h1-5H,(H,12,13);/q;+1/p-1
InChIKey
JTLRGZQMNHIIMW-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.87
TPSA
65.91
LogP / Solubility
WLOGP
-3
MLOGP
-2.64
XLogP3
-3
Consensus LogP
-2.88
Log S (ESOL)
0.37
Class (ESOL)
Highly soluble
Log S (Ali)
1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.44
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)
-6.05
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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