![CAS 54001-36-4 2-BROMO-1-[2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOL-5-YL]-1-ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/54001-36-4.gif)
CAS RN: 54001-36-4
2-BROMO-1-[2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOL-5-YL]-1-ETHANONE
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.20250503 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS54001-36-4
- Purity/Analytical Methods: >99.0%
54001-36-4 / 2-bromo-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
Basic Information
CAS
54001-36-4
Multi CAS
No
Molecular Formula
C12H9BRCLNOS
Molecular Weight
330.630000
Exact Mass
328.927680
InChI
InChI=1S/C12H9BrClNOS/c1-7-11(10(16)6-13)17-12(15-7)8-2-4-9(14)5-3-8/h2-5H,6H2,1H3
InChIKey
MDZFMZALZSZQSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
75.42
TPSA
29.96
LogP / Solubility
WLOGP
4.35
MLOGP
3.84
XLogP3
4.5
Consensus LogP
4.23
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.78
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65
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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![CAS 54011-33-5 3-BENZO[1,3]DIOXOL-5-YL-3-OXO-PROPIONIC ACID METHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/54011-33-5.gif)