CAS RN: 53000-19-4
Thiazole, 2-hexyl-
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.20250424 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS53000-19-4
- Purity/Analytical Methods: >99.0%
53000-19-4 / 2-hexyl-1,3-thiazole
Basic Information
CAS
53000-19-4
Multi CAS
No
Molecular Formula
C9H15NS
Molecular Weight
169.290000
Exact Mass
169.092521
InChI
InChI=1S/C9H15NS/c1-2-3-4-5-6-9-10-7-8-11-9/h7-8H,2-6H2,1H3
InChIKey
QUABRUDJKFGLQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
49.96
TPSA
12.89
LogP / Solubility
WLOGP
3.27
MLOGP
2.87
XLogP3
3.8
Consensus LogP
3.31
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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