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CAS 55198-89-5 3-AMino-4-(2-chlorophenyl)-6-nitro-2(1H)-quinolinone molecular structure lightbox
CAS RN: 55198-89-5

3-AMino-4-(2-chlorophenyl)-6-nitro-2(1H)-quinolinone

  • Product code: SSC-163024
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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: 5g
  • 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 55198-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

55198-89-5 / 3-amino-4-(2-chlorophenyl)-6-nitro-1H-quinolin-2-one

Standard CAS: 55198-89-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55198-89-5
Multi CAS
Yes
Molecular Formula
C15H10CLN3O3
Molecular Weight
315.710000
Exact Mass
315.041069
InChI
InChI=1S/C15H10ClN3O3/c16-11-4-2-1-3-9(11)13-10-7-8(19(21)22)5-6-12(10)18-15(20)14(13)17/h1-7H,17H2,(H,18,20)
InChIKey
GYAWOVGCEQLWHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.08
TPSA
102.02

LogP / Solubility

WLOGP
3.34
MLOGP
2.95
XLogP3
2.5
Consensus LogP
2.93
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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