CAS RN: 62608-15-5

1,4-Bis[2-(9-ethylcarbazol-3-yl)vinyl]benzene

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Batchno.20250507 50mg In stock Shanghai Inquiry
  • Product code: ICTB4792
  • Purity/Analytical Methods: >98.0%(HPLC)(N)
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62608-15-5 / 9-ethyl-3-[(E)-2-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]carbazole

Standard CAS: 62608-15-5 Multi CAS: Yes

Basic Information

CAS
62608-15-5
Multi CAS
Yes
Molecular Formula
C38H32N2
Molecular Weight
516.700000
Exact Mass
516.256549
InChI
InChI=1S/C38H32N2/c1-3-39-35-11-7-5-9-31(35)33-25-29(21-23-37(33)39)19-17-27-13-15-28(16-14-27)18-20-30-22-24-38-34(26-30)32-10-6-8-12-36(32)40(38)4-2/h5-26H,3-4H2,1-2H3/b19-17+,20-18+
InChIKey
JQXNAJZMEBHUMC-XPWSMXQVSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
32
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
174.53
TPSA
9.86

LogP / Solubility

WLOGP
10.28
MLOGP
9.09
XLogP3
9.9
Consensus LogP
9.76
Log S (ESOL)
-9.72
Class (ESOL)
Insoluble
Log S (Ali)
-11.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.43

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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