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CAS 101063-90-5 6-Quinoxalinol, 7,8-dimethyl- molecular structure lightbox
CAS RN: 101063-90-5

6-Quinoxalinol, 7,8-dimethyl-

  • Product code: SSC-001911
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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 101063-90-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

101063-90-5 / 7,8-dimethylquinoxalin-6-ol

7,8-Dimethylquinoxalin-6-ol | 6-Hydroxy-7,8-dimethylquinoxaline | MFCD18822650

Standard CAS: 101063-90-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101063-90-5
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
CC1=C(C2=NC=CN=C2C=C1O)C
InChI
InChI=1S/C10H10N2O/c1-6-7(2)10-8(5-9(6)13)11-3-4-12-10/h3-5,13H,1-2H3
InChIKey
DLDCDTPXOUHONX-UHFFFAOYSA-N
Synonyms
7,8-Dimethylquinoxalin-6-ol 6-Hydroxy-7,8-dimethylquinoxaline MFCD18822650 7,8-Dimethyl-6-quinoxalinol AC8849

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.68
TPSA
46.01

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
1.6
Consensus LogP
1.75
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.4

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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