CAS RN: 1826-19-3
4-(4-METHYLPHENYL)-1,3-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.20250909 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1826-19-3
- Purity/Analytical Methods: >99.0%
1826-19-3 / 4-(4-methylphenyl)-1,3-thiazole
Basic Information
CAS
1826-19-3
Multi CAS
No
Molecular Formula
C10H9NS
Molecular Weight
175.250000
Exact Mass
175.045570
SMILES
CC1=CC=C(C=C1)C2=CSC=N2
InChI
InChI=1S/C10H9NS/c1-8-2-4-9(5-3-8)10-6-12-7-11-10/h2-7H,1H3
InChIKey
KHTXVFJHWRJTOR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.29
TPSA
12.89
LogP / Solubility
WLOGP
3.12
MLOGP
2.74
XLogP3
3
Consensus LogP
2.95
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-1.57
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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