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CAS 55119-00-1 7,7-dimethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione(SALTDATA: FREE) molecular structure lightbox
CAS RN: 55119-00-1

7,7-dimethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione(SALTDATA: FREE)

  • Product code: SSC-162973
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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 55119-00-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

55119-00-1 / 7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione

Standard CAS: 55119-00-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55119-00-1
Multi CAS
Yes
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
InChI
InChI=1S/C11H13NO2/c1-11(2)5-8-7(9(13)6-11)3-4-10(14)12-8/h3-4H,5-6H2,1-2H3,(H,12,14)
InChIKey
SSJBKGDLBXMVBQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.5
TPSA
49.93

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
0.9
Consensus LogP
1.26
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.8

Drug-likeness / Medicinal Chemistry

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

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