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CAS 243-69-6 Benzothieno[2,3-B]quinoxaline molecular structure lightbox
CAS RN: 243-69-6

Benzothieno[2,3-B]quinoxaline

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250414 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS243-69-6
  • Purity/Analytical Methods: >99.0%
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243-69-6 / [1]benzothiolo[3,2-b]quinoxaline

Standard CAS: 243-69-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
243-69-6
Multi CAS
No
Molecular Formula
C14H8N2S
Molecular Weight
236.290000
Exact Mass
236.040819
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3S2
InChI
InChI=1S/C14H8N2S/c1-4-8-12-9(5-1)13-14(17-12)16-11-7-3-2-6-10(11)15-13/h1-8H
InChIKey
YJJGTGWWLRKTAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
17
H-bond acceptors
3
Molar refractivity
72.43
TPSA
25.78

LogP / Solubility

WLOGP
4
MLOGP
3.52
XLogP3
3.7
Consensus LogP
3.74
Log S (ESOL)
-4.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.32

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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