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CAS 28082-82-8 6,7-DIMETHYL-2(1H)-QUINOXALINONE molecular structure lightbox
CAS RN: 28082-82-8

6,7-DIMETHYL-2(1H)-QUINOXALINONE

  • Product code: SSC-128779
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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 28082-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

28082-82-8 / 1-benzylpyrazol-4-ol

Standard CAS: 28082-82-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28082-82-8
Multi CAS
Yes
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
InChI
InChI=1S/C10H10N2O/c13-10-6-11-12(8-10)7-9-4-2-1-3-5-9/h1-6,8,13H,7H2
InChIKey
BELUNASLYMZLPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.44
TPSA
38.05

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.5
Consensus LogP
1.53
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.62

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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