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CAS 81810-66-4 Quinocetone molecular structure lightbox
CAS RN: 81810-66-4

Quinocetone

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250813 100g In stock Tianjin Inquiry
Batchno.20260605 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20251120 25g In stock Chengdu Inquiry
Batchno.20250719 25mg In stock Shanghai, Wuhan Inquiry
Batchno.20260521 500g Out of stock Inquiry
Batchno.20250912 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai Inquiry
Batchno.20250418 5mg In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-190131
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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: 100g
  • 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 81810-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

81810-66-4 / 1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-phenylprop-2-en-1-one

Standard CAS: 81810-66-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81810-66-4
Multi CAS
Yes
Molecular Formula
C18H14N2O3
Molecular Weight
306.300000
Exact Mass
306.100442
InChI
InChI=1S/C18H14N2O3/c1-13-18(17(21)12-11-14-7-3-2-4-8-14)20(23)16-10-6-5-9-15(16)19(13)22/h2-12H,1H3/b12-11+
InChIKey
IOKWXGMNRWVQHX-VAWYXSNFSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
88.61
TPSA
68.03

LogP / Solubility

WLOGP
3.11
MLOGP
2.75
XLogP3
2.4
Consensus LogP
2.75
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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