CAS RN: 127406-12-6
Benzaldehyde, 4-(4-thiazolyl)-
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.20251225 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS127406-12-6
- Purity/Analytical Methods: >99.0%
127406-12-6 / 4-(1,3-thiazol-4-yl)benzaldehyde
Basic Information
CAS
127406-12-6
Multi CAS
No
Molecular Formula
C10H7NOS
Molecular Weight
189.240000
Exact Mass
189.024835
SMILES
C1=CC(=CC=C1C=O)C2=CSC=N2
InChI
InChI=1S/C10H7NOS/c12-5-8-1-3-9(4-2-8)10-6-13-7-11-10/h1-7H
InChIKey
WDMCSJWJYXTEJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.94
TPSA
29.96
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2.1
Consensus LogP
2.34
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.01
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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