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CAS 1956384-81-8 5-(methylsulfonyl)quinolin-3-ol molecular structure lightbox
CAS RN: 1956384-81-8

5-(methylsulfonyl)quinolin-3-ol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250608 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1956384-81-8
  • Purity/Analytical Methods: >99.0%
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1956384-81-8 / 5-methylsulfonylquinolin-3-ol

Standard CAS: 1956384-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1956384-81-8
Multi CAS
No
Molecular Formula
C10H9NO3S
Molecular Weight
223.250000
Exact Mass
223.030314
SMILES
CS(=O)(=O)C1=CC=CC2=C1C=C(C=N2)O
InChI
InChI=1S/C10H9NO3S/c1-15(13,14)10-4-2-3-9-8(10)5-7(12)6-11-9/h2-6,12H,1H3
InChIKey
WLWBWWPZLRLBKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.52
TPSA
67.26

LogP / Solubility

WLOGP
1.34
MLOGP
1.19
XLogP3
1.1
Consensus LogP
1.21
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

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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