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CAS 214-83-5 diquinoxalino[2,3-a:2′,3′-c]phenazine molecular structure lightbox
CAS RN: 214-83-5

diquinoxalino[2,3-a:2′,3′-c]phenazine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250109 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: LIND887229
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214-83-5 / 3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene

Standard CAS: 214-83-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214-83-5
Multi CAS
No
Molecular Formula
C24H12N6
Molecular Weight
384.400000
Exact Mass
384.112344
SMILES
C1=CC=C2C(=C1)N=C3C4=NC5=CC=CC=C5N=C4C6=NC7=CC=CC=C7N=C6C3=N2
InChI
InChI=1S/C24H12N6/c1-2-8-14-13(7-1)25-19-20(26-14)22-24(30-18-12-6-5-11-17(18)28-22)23-21(19)27-15-9-3-4-10-16(15)29-23/h1-12H
InChIKey
JWBHNEZMQMERHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
30
H-bond acceptors
6
Molar refractivity
118.25
TPSA
77.34

LogP / Solubility

WLOGP
4.98
MLOGP
4.4
XLogP3
3
Consensus LogP
4.13
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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