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CAS 263896-27-1 6-ETHYL-2,3-DIHYDROQUINOLIN-4(1H)-ONE molecular structure lightbox
CAS RN: 263896-27-1

6-ETHYL-2,3-DIHYDROQUINOLIN-4(1H)-ONE

  • Product code: SSC-123873
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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 263896-27-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

263896-27-1 / 6-ethyl-2,3-dihydro-1H-quinolin-4-one

Standard CAS: 263896-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263896-27-1
Multi CAS
No
Molecular Formula
C11H13NO
Molecular Weight
175.230000
Exact Mass
175.099714
SMILES
CCC1=CC2=C(C=C1)NCCC2=O
InChI
InChI=1S/C11H13NO/c1-2-8-3-4-10-9(7-8)11(13)5-6-12-10/h3-4,7,12H,2,5-6H2,1H3
InChIKey
WFGDLFXNRLONNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.26
TPSA
29.1

LogP / Solubility

WLOGP
2.25
MLOGP
1.97
XLogP3
2.2
Consensus LogP
2.14
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.19

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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