CAS RN: 39541-91-8
2-Methyl-4-(3-nitro-phenyl)-thiazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250618 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS39541-91-8
- Purity/Analytical Methods: >99.0%
39541-91-8 / 2-methyl-4-(3-nitrophenyl)-1,3-thiazole
Basic Information
CAS
39541-91-8
Multi CAS
No
Molecular Formula
C10H8N2O2S
Molecular Weight
220.250000
Exact Mass
220.030649
InChI
InChI=1S/C10H8N2O2S/c1-7-11-10(6-15-7)8-3-2-4-9(5-8)12(13)14/h2-6H,1H3
InChIKey
VWKXLZKNKFOCCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
58.94
TPSA
56.03
LogP / Solubility
WLOGP
3.03
MLOGP
2.67
XLogP3
2.8
Consensus LogP
2.83
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-1.91
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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