CAS RN: 383143-86-0
4-(4-Methylphenyl)-2thiazolecarboxaldehyde
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.20260217 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS383143-86-0
- Purity/Analytical Methods: >99.0%
383143-86-0 / 4-(4-methylphenyl)-1,3-thiazole-2-carbaldehyde
Basic Information
CAS
383143-86-0
Multi CAS
No
Molecular Formula
C11H9NOS
Molecular Weight
203.260000
Exact Mass
203.040485
InChI
InChI=1S/C11H9NOS/c1-8-2-4-9(5-3-8)10-7-14-11(6-13)12-10/h2-7H,1H3
InChIKey
NIYYLXDRLQFYMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
57.67
TPSA
29.96
LogP / Solubility
WLOGP
2.93
MLOGP
2.58
XLogP3
2.8
Consensus LogP
2.77
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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