CAS RN: 1826-22-8
4-(4-CHLORO-PHENYL)-THIAZOLE
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.20250329 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1826-22-8
- Purity/Analytical Methods: >99.0%
1826-22-8 / 4-(4-chlorophenyl)-1,3-thiazole
Basic Information
CAS
1826-22-8
Multi CAS
No
Molecular Formula
C9H6ClNS
Molecular Weight
195.670000
Exact Mass
194.990948
SMILES
C1=CC(=CC=C1C2=CSC=N2)Cl
InChI
InChI=1S/C9H6ClNS/c10-8-3-1-7(2-4-8)9-5-12-6-11-9/h1-6H
InChIKey
NHPGTSMKZRIWCJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.56
TPSA
12.89
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
3.2
Consensus LogP
3.24
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45
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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