CAS RN: 2682097-11-4
2-Thiazoleethanol, β-amino-, hydrochloride (1:2), (βS)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251230 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2682097-11-4
- Purity/Analytical Methods: >99.0%
2682097-11-4 / (2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol;hydrochloride
Basic Information
CAS
2682097-11-4
Multi CAS
No
Molecular Formula
C5H9ClN2OS
Molecular Weight
180.660000
Exact Mass
180.012412
SMILES
C1=CSC(=N1)[C@H](CO)N.Cl
InChI
InChI=1S/C5H8N2OS.ClH/c6-4(3-8)5-7-1-2-9-5;/h1-2,4,8H,3,6H2;1H/t4-;/m0./s1
InChIKey
NJSKVXGHDIIDQA-WCCKRBBISA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.38
TPSA
59.14
LogP / Solubility
WLOGP
0.56
MLOGP
0.49
XLogP3
0.56
Consensus LogP
0.54
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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