CAS RN: 906258-69-3

(4-(4-methoxyphenyl)piperazin-1-yl)(2-(4-methylpiperidin-1-yl)benzo[d]thiazol-6-yl)methanone

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6 package records3 with current stock1 grade group
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Batchno.20250416 10mg In stock Shanghai Inquiry
Batchno.20250204 1mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS906258-69-3
  • Purity/Analytical Methods: >99.0%
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906258-69-3 / [4-(4-methoxyphenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone

Standard CAS: 906258-69-3 Multi CAS: No

Basic Information

CAS
906258-69-3
Multi CAS
No
Molecular Formula
C25H30N4O2S
Molecular Weight
450.600000
Exact Mass
450.208947
InChI
InChI=1S/C25H30N4O2S/c1-18-9-11-29(12-10-18)25-26-22-8-3-19(17-23(22)32-25)24(30)28-15-13-27(14-16-28)20-4-6-21(31-2)7-5-20/h3-8,17-18H,9-16H2,1-2H3
InChIKey
CHQCVRDHOXMOLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
15
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
131.34
TPSA
48.91

LogP / Solubility

WLOGP
4.5
MLOGP
3.99
XLogP3
5.1
Consensus LogP
4.53
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
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)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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