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CAS 891900-49-5 2-Hydroxy-6-(1-piperidinylsulfonyl)quinoline molecular structure lightbox
CAS RN: 891900-49-5

2-Hydroxy-6-(1-piperidinylsulfonyl)quinoline

  • Product code: SSC-201082
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 891900-49-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

891900-49-5 / 6-piperidin-1-ylsulfonyl-1H-quinolin-2-one

Standard CAS: 891900-49-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
891900-49-5
Multi CAS
No
Molecular Formula
C14H16N2O3S
Molecular Weight
292.360000
Exact Mass
292.088164
InChI
InChI=1S/C14H16N2O3S/c17-14-7-4-11-10-12(5-6-13(11)15-14)20(18,19)16-8-2-1-3-9-16/h4-7,10H,1-3,8-9H2,(H,15,17)
InChIKey
CRGXDDWMQYFJQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.18
TPSA
70.24

LogP / Solubility

WLOGP
1.7
MLOGP
1.51
XLogP3
1.3
Consensus LogP
1.5
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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