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CAS 347146-20-7 3-Quinolinamine, 8-(methylsulfonyl)- molecular structure lightbox
CAS RN: 347146-20-7

3-Quinolinamine, 8-(methylsulfonyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250709 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS347146-20-7
  • Purity/Analytical Methods: >99.0%
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347146-20-7 / 8-methylsulfonylquinolin-3-amine

Standard CAS: 347146-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
347146-20-7
Multi CAS
No
Molecular Formula
C10H10N2O2S
Molecular Weight
222.270000
Exact Mass
222.046299
InChI
InChI=1S/C10H10N2O2S/c1-15(13,14)9-4-2-3-7-5-8(11)6-12-10(7)9/h2-6H,11H2,1H3
InChIKey
VQFSUTQDNLFSTH-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
59.27
TPSA
73.05

LogP / Solubility

WLOGP
1.22
MLOGP
1.08
XLogP3
0.4
Consensus LogP
0.9
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.21

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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