![CAS 906258-48-8 (4-benzylpiperazin-1-yl)(2-(4-methylpiperidin-1-yl)benzo[d]thiazol-6-yl)methanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/906258-48-8.gif)
CAS RN: 906258-48-8
(4-benzylpiperazin-1-yl)(2-(4-methylpiperidin-1-yl)benzo[d]thiazol-6-yl)methanone
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.20260202 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS906258-48-8
- Purity/Analytical Methods: >99.0%
906258-48-8 / (4-benzylpiperazin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone
Basic Information
CAS
906258-48-8
Multi CAS
No
Molecular Formula
C25H30N4OS
Molecular Weight
434.600000
Exact Mass
434.214033
InChI
InChI=1S/C25H30N4OS/c1-19-9-11-29(12-10-19)25-26-22-8-7-21(17-23(22)31-25)24(30)28-15-13-27(14-16-28)18-20-5-3-2-4-6-20/h2-8,17,19H,9-16,18H2,1H3
InChIKey
HGNATFYYPPTOPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
127.85
TPSA
39.68
LogP / Solubility
WLOGP
4.49
MLOGP
3.98
XLogP3
4.9
Consensus LogP
4.46
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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