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CAS 109628-27-5 TSQ molecular structure lightbox
CAS RN: 109628-27-5

TSQ

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS109628-27-5
  • Purity/Analytical Methods: >99.0%
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109628-27-5 / N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide

N-(6-Methoxy-8-quinolyl)-4-toluenesulfonamide | N-(6-Methoxy-8-quinolyl)-p-toluenesulfonamide | TSQ-6N

Standard CAS: 109628-27-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
109628-27-5
Multi CAS
No
Molecular Formula
C17H16N2O3S
Molecular Weight
328.400000
Exact Mass
328.088164
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)OC)C=CC=N3
InChI
InChI=1S/C17H16N2O3S/c1-12-5-7-15(8-6-12)23(20,21)19-16-11-14(22-2)10-13-4-3-9-18-17(13)16/h3-11,19H,1-2H3
InChIKey
HKRNYOZJJMFDBV-UHFFFAOYSA-N
Synonyms
N-(6-Methoxy-8-quinolyl)-4-toluenesulfonamide N-(6-Methoxy-8-quinolyl)-p-toluenesulfonamide TSQ-6N N-(6-methoxy-8-quinolinyl)-4-methylbenzenesulfonamide 6-TSQ

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.28
TPSA
68.29

LogP / Solubility

WLOGP
3.35
MLOGP
2.97
XLogP3
3
Consensus LogP
3.11
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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