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CAS 61122-82-5 6-(2-CHLORO-ACETYL)-3,4-DIHYDRO-1H-QUINOLIN-2-ONE molecular structure lightbox
CAS RN: 61122-82-5

6-(2-CHLORO-ACETYL)-3,4-DIHYDRO-1H-QUINOLIN-2-ONE

  • Product code: SSC-169910
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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: 0.25g
  • 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 61122-82-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

61122-82-5 / 6-(2-chloroacetyl)-3,4-dihydro-1H-quinolin-2-one

Standard CAS: 61122-82-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61122-82-5
Multi CAS
No
Molecular Formula
C11H10CLNO2
Molecular Weight
223.650000
Exact Mass
223.040006
InChI
InChI=1S/C11H10ClNO2/c12-6-10(14)8-1-3-9-7(5-8)2-4-11(15)13-9/h1,3,5H,2,4,6H2,(H,13,15)
InChIKey
SUKDPTKEKHZBDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.44
TPSA
46.17

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
1.4
Consensus LogP
1.72
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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