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CAS RN: 243-59-4
6H-Indolo[2,3-b]quinoxaline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250405 | 50mg / 200mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTI1098
- Purity/Analytical Methods: >98.0%(GC)(T)
243-59-4 / 6H-indolo[3,2-b]quinoxaline
Basic Information
CAS
243-59-4
Multi CAS
No
Molecular Formula
C14H9N3
Molecular Weight
219.240000
Exact Mass
219.079647
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3N2
InChI
InChI=1S/C14H9N3/c1-2-6-10-9(5-1)13-14(16-10)17-12-8-4-3-7-11(12)15-13/h1-8H,(H,16,17)
InChIKey
LCKIWLDOHFUYDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
17
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.9
TPSA
41.57
LogP / Solubility
WLOGP
3.26
MLOGP
2.87
XLogP3
2.8
Consensus LogP
2.98
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly 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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
