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CAS 531-46-4 5,12-dihydroquinoxalino[2,3-b]quinoxaline molecular structure lightbox
CAS RN: 531-46-4

5,12-dihydroquinoxalino[2,3-b]quinoxaline

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250406 10mg In stock Shanghai Inquiry
Batchno.20260208 10mg / 25mg Out of stock 5-7 business days Inquiry
Batchno.20260206 25mg Out of stock Inquiry
Batchno.20250613 50mg Out of stock Inquiry
Batchno.20250513 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS531-46-4
  • Purity/Analytical Methods: >99.0%
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531-46-4 / 6,11-dihydroquinoxalino[2,3-b]quinoxaline

Standard CAS: 531-46-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
531-46-4
Multi CAS
Yes
Molecular Formula
C14H10N4
Molecular Weight
234.260000
Exact Mass
234.090546
InChI
InChI=1S/C14H10N4/c1-2-6-10-9(5-1)15-13-14(16-10)18-12-8-4-3-7-11(12)17-13/h1-8H,(H,15,17)(H,16,18)
InChIKey
WGKYYZDYHYOKQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72.55
TPSA
49.84

LogP / Solubility

WLOGP
3.43
MLOGP
3.02
XLogP3
2.7
Consensus LogP
3.05
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71

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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