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CAS 35463-74-2 2-(piperazin-1-yl)benzo[d]thiazole(WX130439) molecular structure lightbox
CAS RN: 35463-74-2

2-(piperazin-1-yl)benzo[d]thiazole(WX130439)

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251112 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS35463-74-2
  • Purity/Analytical Methods: >99.0%
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35463-74-2 / 2-piperazin-1-yl-1,3-benzothiazole;hydrochloride

Standard CAS: 35463-74-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35463-74-2
Multi CAS
No
Molecular Formula
C11H14CLN3S
Molecular Weight
255.770000
Exact Mass
255.059696
InChI
InChI=1S/C11H13N3S.ClH/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H
InChIKey
BDUGDVVACNJZPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.95
TPSA
28.16

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
2.13
Consensus LogP
2.05
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-2.77

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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