CAS RN: 89250-26-0
2-(CHLOROMETHYL)-4-(4-NITROPHENYL)-1,3-THIAZOLE
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250524 | 5g / 25g / 100g / 500g / 2.5kg / 10kg | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing, Hebei | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250410 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
- Product code: starshine_CAS89250-26-0
- Purity/Analytical Methods: >99.0%
89250-26-0 / 2-(chloromethyl)-4-(4-nitrophenyl)-1,3-thiazole
Basic Information
CAS
89250-26-0
Multi CAS
No
Molecular Formula
C10H7CLN2O2S
Molecular Weight
254.690000
Exact Mass
253.991676
InChI
InChI=1S/C10H7ClN2O2S/c11-5-10-12-9(6-16-10)7-1-3-8(4-2-7)13(14)15/h1-4,6H,5H2
InChIKey
LEBRGKZHLICZCZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
63.76
TPSA
56.03
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
2.9
Consensus LogP
3.14
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly 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)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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