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CAS 67735-60-8 1-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 67735-60-8

1-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBALDEHYDE

  • Product code: SSC-177489
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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: ＞97%
  • 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 67735-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

67735-60-8 / 1-methyl-2-oxoquinoline-3-carbaldehyde

Standard CAS: 67735-60-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67735-60-8
Multi CAS
No
Molecular Formula
C11H9NO2
Molecular Weight
187.190000
Exact Mass
187.063329
InChI
InChI=1S/C11H9NO2/c1-12-10-5-3-2-4-8(10)6-9(7-13)11(12)14/h2-7H,1H3
InChIKey
AWJCCKYFFMSHCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.58
TPSA
39.07

LogP / Solubility

WLOGP
1.35
MLOGP
1.19
XLogP3
1.2
Consensus LogP
1.25
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-2.9

Drug-likeness / Medicinal Chemistry

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

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