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CAS 1016515-89-1 6-Fluoro-8-Quinolinesulfonyl Chloride molecular structure lightbox
CAS RN: 1016515-89-1

6-Fluoro-8-Quinolinesulfonyl Chloride

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Batchno.20251224 25mg / 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1016515-89-1
  • Purity/Analytical Methods: >99.0%
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1016515-89-1 / 6-fluoroquinoline-8-sulfonyl chloride

6-FLUOROQUINOLINE-8-SULFONYL CHLORIDE | 6-Fluoro-8-Quinolinesulfonyl Chloride | MFCD09814964

Standard CAS: 1016515-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1016515-89-1
Multi CAS
No
Molecular Formula
C9H5ClFNO2S
Molecular Weight
245.660000
Exact Mass
244.971355
SMILES
C1=CC2=CC(=CC(=C2N=C1)S(=O)(=O)Cl)F
InChI
InChI=1S/C9H5ClFNO2S/c10-15(13,14)8-5-7(11)4-6-2-1-3-12-9(6)8/h1-5H
InChIKey
NBZCFXPRLZWBPM-UHFFFAOYSA-N
Synonyms
6-FLUOROQUINOLINE-8-SULFONYL CHLORIDE 6-Fluoro-8-Quinolinesulfonyl Chloride MFCD09814964 SCHEMBL16050733 AKOS000161106

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.74
TPSA
47.03

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

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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