CAS RN: 1914-12-1

NSC15917

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250325 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1914-12-1
  • Purity/Analytical Methods: >99.0%
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1914-12-1 / 9-carbazol-9-ylcarbazole

Standard CAS: 1914-12-1 Multi CAS: No

Basic Information

CAS
1914-12-1
Multi CAS
No
Molecular Formula
C24H16N2
Molecular Weight
332.400000
Exact Mass
332.131349
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2N4C5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C24H16N2/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)26-23-15-7-3-11-19(23)20-12-4-8-16-24(20)26/h1-16H
InChIKey
WYGGOFSDWWYNJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
26
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
109.68
TPSA
9.86

LogP / Solubility

WLOGP
6.21
MLOGP
5.48
XLogP3
6.8
Consensus LogP
6.16
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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