![CAS 3575-05-1 4-(5-nitro-1H-benzo[d]iMidazol-2-yl)thiazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/3575-05-1(1).gif)
CAS RN: 3575-05-1
4-(5-nitro-1H-benzo[d]iMidazol-2-yl)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.20250615 | 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS3575-05-1
- Purity/Analytical Methods: >99.0%
3575-05-1 / 4-(6-nitro-1H-benzimidazol-2-yl)-1,3-thiazole
Basic Information
CAS
3575-05-1
Multi CAS
Yes
Molecular Formula
C10H6N4O2S
Molecular Weight
246.250000
Exact Mass
246.021147
InChI
InChI=1S/C10H6N4O2S/c15-14(16)6-1-2-7-8(3-6)13-10(12-7)9-4-17-5-11-9/h1-5H,(H,12,13)
InChIKey
LPEUFGNVMRMLRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.86
TPSA
84.71
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
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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