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CAS 351518-88-2 (2-AMINO-BENZOTHIAZOL-6-YL)-PIPERIDIN-1-YL-METHANONE molecular structure lightbox
CAS RN: 351518-88-2

(2-AMINO-BENZOTHIAZOL-6-YL)-PIPERIDIN-1-YL-METHANONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251025 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS351518-88-2
  • Purity/Analytical Methods: >99.0%
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351518-88-2 / (2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone

Standard CAS: 351518-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
351518-88-2
Multi CAS
No
Molecular Formula
C13H15N3OS
Molecular Weight
261.340000
Exact Mass
261.093583
InChI
InChI=1S/C13H15N3OS/c14-13-15-10-5-4-9(8-11(10)18-13)12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,14,15)
InChIKey
RMXGLOPWFFSJAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.79
TPSA
59.22

LogP / Solubility

WLOGP
2.5
MLOGP
2.21
XLogP3
2.3
Consensus LogP
2.34
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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