CAS RN: 188891-43-2
4-Thiazolecarboxylic acid, 5-(hydroxymethyl)- (9CI)
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.20260614 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS188891-43-2
- Purity/Analytical Methods: >99.0%
188891-43-2 / 5-(hydroxymethyl)-1,3-thiazole-4-carboxylic acid
Basic Information
CAS
188891-43-2
Multi CAS
No
Molecular Formula
C5H5NO3S
Molecular Weight
159.170000
Exact Mass
158.999014
SMILES
C1=NC(=C(S1)CO)C(=O)O
InChI
InChI=1S/C5H5NO3S/c7-1-3-4(5(8)9)6-2-10-3/h2,7H,1H2,(H,8,9)
InChIKey
VRLGGBMSZKYNEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
35
TPSA
70.42
LogP / Solubility
WLOGP
0.33
MLOGP
0.29
Consensus LogP
0.21
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
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)
-3.45
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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