CAS RN: 57001-28-2
2-(1-Aminoethyl)thiazole-4-carboxylic acid
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.20250509 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57001-28-2
- Purity/Analytical Methods: >99.0%
57001-28-2 / 2-(2-aminoethyl)-1,3-thiazole-4-carboxylic acid
Basic Information
CAS
57001-28-2
Multi CAS
Yes
Molecular Formula
C6H8N2O2S
Molecular Weight
172.210000
Exact Mass
172.030649
InChI
InChI=1S/C6H8N2O2S/c7-2-1-5-8-4(3-11-5)6(9)10/h3H,1-2,7H2,(H,9,10)
InChIKey
SVTUOAQARVNGAM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.83
TPSA
76.21
LogP / Solubility
WLOGP
0.34
MLOGP
0.3
XLogP3
-2.1
Consensus LogP
-0.49
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.53
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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