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CAS 401567-36-0 6-Fluoro-2-piperazin-1-yl-1,3-benzothiazole molecular structure lightbox
CAS RN: 401567-36-0

6-Fluoro-2-piperazin-1-yl-1,3-benzothiazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260506 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS401567-36-0
  • Purity/Analytical Methods: >99.0%
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401567-36-0 / 6-fluoro-2-piperazin-1-yl-1,3-benzothiazole

Standard CAS: 401567-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
401567-36-0
Multi CAS
No
Molecular Formula
C11FH12N3S
Molecular Weight
237.300000
Exact Mass
237.073597
InChI
InChI=1S/C11H12FN3S/c12-8-1-2-9-10(7-8)16-11(14-9)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2
InChIKey
SAAAUUMNBLXAFT-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
64.66
TPSA
28.16

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
2.3
Consensus LogP
1.92
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

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

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