[email protected]
CAS 1076-28-4 2-Methylquinoline N-Oxide molecular structure lightbox
CAS RN: 1076-28-4

2-Methylquinoline N-Oxide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260108 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-009101
GET A QUOTE
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
Request Bulk Quote

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 1076-28-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1076-28-4 / 2-methyl-1-oxidoquinolin-1-ium

2-Methylquinoline 1-oxide | 2-Methylquinoline N-oxide | Quinaldine, 1-oxide

Standard CAS: 1076-28-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1076-28-4
Multi CAS
Yes
Molecular Formula
C10H9NO
Molecular Weight
159.180000
Exact Mass
159.068414
SMILES
CC1=[N+](C2=CC=CC=C2C=C1)[O-]
InChI
InChI=1S/C10H9NO/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3
InChIKey
FZJUONUBFWNHNU-UHFFFAOYSA-N
Synonyms
2-Methylquinoline 1-oxide 2-Methylquinoline N-oxide Quinaldine, 1-oxide Quinoline, 2-methyl-, 1-oxide S6BP8D3HUX

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
47.65
TPSA
26.94

LogP / Solubility

WLOGP
1.78
MLOGP
1.56
XLogP3
1.6
Consensus LogP
1.65
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
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
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us