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CAS 113308-38-6 9,10-di-[β-(4-pyridyl)vinyl]anthracene molecular structure lightbox
CAS RN: 113308-38-6

9,10-di-[β-(4-pyridyl)vinyl]anthracene

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250916 100mg In stock Shanghai Inquiry
Batchno.20250903 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20251007 1g In stock Shanghai Inquiry
Batchno.20251203 250mg In stock Shanghai Inquiry
Batchno.20250426 5g Out of stock Inquiry
  • Product code: starshine_CAS113308-38-6
  • Purity/Analytical Methods: >99.0%
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113308-38-6 / 4-[(E)-2-[10-[(E)-2-pyridin-4-ylethenyl]anthracen-9-yl]ethenyl]pyridine

9,10-Bis((E)-2-(pyridin-4-yl)vinyl)anthracene | 9,10-Bis[2-(4-pyridyl)vinyl]anthracene | 9,10-di-beta-(4-pyridyl) vinylanthracene

Standard CAS: 113308-38-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113308-38-6
Multi CAS
Yes
Molecular Formula
C28H20N2
Molecular Weight
384.500000
Exact Mass
384.162649
SMILES
C1=CC=C2C(=C3C(=C(C2=C1)/C=C/C4=CC=NC=C4)C=CC=C3)/C=C/C5=CC=NC=C5
InChI
InChI=1S/C28H20N2/c1-2-6-24-23(5-1)27(11-9-21-13-17-29-18-14-21)25-7-3-4-8-26(25)28(24)12-10-22-15-19-30-20-16-22/h1-20H/b11-9+,12-10+
InChIKey
MUGVFODJPVTKOB-WGDLNXRISA-N
Synonyms
9,10-Bis((E)-2-(pyridin-4-yl)vinyl)anthracene 9,10-Bis[2-(4-pyridyl)vinyl]anthracene 9,10-di-beta-(4-pyridyl) vinylanthracene 9,10-Bis(2-(pyridin-4-yl)vinyl)anthracene 4-[(E)-2-[10-[(E)-2-pyridin-4-ylethenyl]anthracen-9-yl]ethenyl]pyridine

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
26
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
127.78
TPSA
25.78

LogP / Solubility

WLOGP
7.12
MLOGP
6.29
XLogP3
6.8
Consensus LogP
6.74
Log S (ESOL)
-7.09
Class (ESOL)
Insoluble
Log S (Ali)
-7.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.55
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)
-0.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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