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CAS 81576-24-1 Quinoxaline, 2,6,7-trimethyl- molecular structure lightbox
CAS RN: 81576-24-1

Quinoxaline, 2,6,7-trimethyl-

  • Product code: SSC-189989
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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 81576-24-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

81576-24-1 / 2,6,7-trimethylquinoxaline

Standard CAS: 81576-24-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81576-24-1
Multi CAS
No
Molecular Formula
C11H12N2
Molecular Weight
172.230000
Exact Mass
172.100048
InChI
InChI=1S/C11H12N2/c1-7-4-10-11(5-8(7)2)13-9(3)6-12-10/h4-6H,1-3H3
InChIKey
ZSOLLSAKMTZPAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.27
H-bond acceptors
2
Molar refractivity
53.75
TPSA
25.78

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-1.96

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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