CAS RN: 55315-33-8
2-(1,3-Benzodioxol-5-yl)-4-(chloromethyl)-1,3-thiazole
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.20260613 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55315-33-8
- Purity/Analytical Methods: >99.0%
55315-33-8 / 2-(1,3-benzodioxol-5-yl)-4-(chloromethyl)-1,3-thiazole
Basic Information
CAS
55315-33-8
Multi CAS
No
Molecular Formula
C11H8CLNO2S
Molecular Weight
253.710000
Exact Mass
252.996427
InChI
InChI=1S/C11H8ClNO2S/c12-4-8-5-16-11(13-8)7-1-2-9-10(3-7)15-6-14-9/h1-3,5H,4,6H2
InChIKey
DXTWZFZBGJRQHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
63.23
TPSA
31.35
LogP / Solubility
WLOGP
3.28
MLOGP
2.89
XLogP3
2.9
Consensus LogP
3.02
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
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)
-1.94
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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