![CAS 1452577-24-0 1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22688972(1).gif)
CAS RN: 1452577-24-0
1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]ethanone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250302 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1452577-24-0
- Purity/Analytical Methods: >99.0%
1452577-24-0 / 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]ethanone
Basic Information
CAS
1452577-24-0
Multi CAS
No
Molecular Formula
C11H16BNO3S
Molecular Weight
253.130000
Exact Mass
253.094395
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)C(=O)C
InChI
InChI=1S/C11H16BNO3S/c1-7(14)9-13-6-8(17-9)12-15-10(2,3)11(4,5)16-12/h6H,1-5H3
InChIKey
YCNIPIQMCOSTLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
67.83
TPSA
48.42
LogP / Solubility
WLOGP
1.64
MLOGP
1.45
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1
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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