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CAS 217-82-3 Pyrazino[2,3-f][4,7]phenanthroline molecular structure lightbox
CAS RN: 217-82-3

Pyrazino[2,3-f][4,7]phenanthroline

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250330 5mg / 25mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS217-82-3
  • Purity/Analytical Methods: >99.0%
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217-82-3 / pyrazino[2,3-f][4,7]phenanthroline

Standard CAS: 217-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
217-82-3
Multi CAS
No
Molecular Formula
C14H8N4
Molecular Weight
232.240000
Exact Mass
232.074896
SMILES
C1=CC2=C(C3=NC=CN=C3C4=C2C=CC=N4)N=C1
InChI
InChI=1S/C14H8N4/c1-3-9-10-4-2-6-16-12(10)14-13(11(9)15-5-1)17-7-8-18-14/h1-8H
InChIKey
NVFJXZGVAGNQDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
18
H-bond acceptors
4
Molar refractivity
70.14
TPSA
51.56

LogP / Solubility

WLOGP
2.73
MLOGP
2.4
XLogP3
0.7
Consensus LogP
1.94
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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