![CAS 678158-55-9 5-([1,1′-biphenyl]-4-ylmethylene)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/678158-55-9.gif)
CAS RN: 678158-55-9
5-([1,1′-biphenyl]-4-ylmethylene)-2-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250807 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250514 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250118 | 10mg / 25mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250511 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251021 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250914 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS678158-55-9
- Purity/Analytical Methods: >99.0%
678158-55-9 / (5E)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-[(4-phenylphenyl)methylidene]-1,3-thiazol-4-one
Basic Information
CAS
678158-55-9
Multi CAS
Yes
Molecular Formula
C22H23N3O2S
Molecular Weight
393.500000
Exact Mass
393.151098
InChI
InChI=1S/C22H23N3O2S/c26-15-14-24-10-12-25(13-11-24)22-23-21(27)20(28-22)16-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,16,26H,10-15H2/b20-16-
InChIKey
IBEWMFVUBLAYJT-SILNSSARSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
114.99
TPSA
56.14
LogP / Solubility
WLOGP
2.93
MLOGP
2.6
XLogP3
3.2
Consensus LogP
2.91
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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