CAS RN: 1026033-51-1

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Batchno.20260121 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1026033-51-1
  • Purity/Analytical Methods: >99.0%
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1026033-51-1 / 3-carbazol-9-yl-9-phenylcarbazole

9-Phenyl-3,9'-bi-9H-carbazole | 9-Phenyl-9H-3,9'-bicarbazole | SCHEMBL3334280

Standard CAS: 1026033-51-1 Multi CAS: No

Basic Information

CAS
1026033-51-1
Multi CAS
No
Molecular Formula
C30H20N2
Molecular Weight
408.500000
Exact Mass
408.162649
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N4C5=CC=CC=C5C6=CC=CC=C64)C7=CC=CC=C72
InChI
InChI=1S/C30H20N2/c1-2-10-21(11-3-1)31-29-17-9-6-14-25(29)26-20-22(18-19-30(26)31)32-27-15-7-4-12-23(27)24-13-5-8-16-28(24)32/h1-20H
InChIKey
ZDNCCAKVWJEZLB-UHFFFAOYSA-N
Synonyms
9-Phenyl-3,9'-bi-9H-carbazole 9-Phenyl-9H-3,9'-bicarbazole SCHEMBL3334280 SCHEMBL21647255 SCHEMBL29395731

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
32
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
135.12
TPSA
9.86

LogP / Solubility

WLOGP
7.88
MLOGP
6.96
XLogP3
8.1
Consensus LogP
7.65
Log S (ESOL)
-7.95
Class (ESOL)
Insoluble
Log S (Ali)
-8.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.1
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
Yes
Log Kp (skin permeation)
0.38

Drug-likeness / Medicinal Chemistry

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

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