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CAS 790175-67-6 Quinoxaline, 2-(4,5-dihydro-4-methyl-1H-imidazol-2-yl)- (9CI) molecular structure lightbox
CAS RN: 790175-67-6

Quinoxaline, 2-(4,5-dihydro-4-methyl-1H-imidazol-2-yl)- (9CI)

  • Product code: SSC-188223
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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 790175-67-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

790175-67-6 / 2-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)quinoxaline

Standard CAS: 790175-67-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
790175-67-6
Multi CAS
No
Molecular Formula
C12H12N4
Molecular Weight
212.250000
Exact Mass
212.106196
InChI
InChI=1S/C12H12N4/c1-8-6-14-12(15-8)11-7-13-9-4-2-3-5-10(9)16-11/h2-5,7-8H,6H2,1H3,(H,14,15)
InChIKey
GUOTUXGNYOMVRF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.54
TPSA
50.17

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
0.9
Consensus LogP
1.16
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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