CAS RN: 22358-80-1
thiazole-4,5-dicarboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251128 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS22358-80-1
- Purity/Analytical Methods: >99.0%
22358-80-1 / 1,3-thiazole-4,5-dicarboxylic acid
Basic Information
CAS
22358-80-1
Multi CAS
No
Molecular Formula
C5H3NO4S
Molecular Weight
173.150000
Exact Mass
172.978279
SMILES
C1=NC(=C(S1)C(=O)O)C(=O)O
InChI
InChI=1S/C5H3NO4S/c7-4(8)2-3(5(9)10)11-1-6-2/h1H,(H,7,8)(H,9,10)
InChIKey
HFHARFNUBJTTGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
36.03
TPSA
87.49
LogP / Solubility
WLOGP
0.54
MLOGP
0.47
XLogP3
0.7
Consensus LogP
0.57
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.39
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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