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CAS 23947-37-7 4,6-DIMETHYLQUINOLIN-2-OL molecular structure lightbox
CAS RN: 23947-37-7

4,6-DIMETHYLQUINOLIN-2-OL

  • Product code: SSC-116892
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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 23947-37-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

23947-37-7 / 4,6-dimethyl-1H-quinolin-2-one

Standard CAS: 23947-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23947-37-7
Multi CAS
No
Molecular Formula
C11H11NO
Molecular Weight
173.210000
Exact Mass
173.084064
SMILES
CC1=CC2=C(C=C1)NC(=O)C=C2C
InChI
InChI=1S/C11H11NO/c1-7-3-4-10-9(5-7)8(2)6-11(13)12-10/h3-6H,1-2H3,(H,12,13)
InChIKey
LAQRPDPJOOMNHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.04
TPSA
32.86

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
1.6
Consensus LogP
1.87
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

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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