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CAS 1429664-95-8 9,10-bis((E)-2-(pyridin-3-yl)vinyl)anthracene molecular structure lightbox
CAS RN: 1429664-95-8

9,10-bis((E)-2-(pyridin-3-yl)vinyl)anthracene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250422 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1429664-95-8
  • Purity/Analytical Methods: >99.0%
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1429664-95-8 / 3-[(E)-2-[10-[(E)-2-pyridin-3-ylethenyl]anthracen-9-yl]ethenyl]pyridine

Standard CAS: 1429664-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1429664-95-8
Multi CAS
No
Molecular Formula
C28H20N2
Molecular Weight
384.500000
Exact Mass
384.162649
SMILES
C1=CC=C2C(=C3C(=C(C2=C1)/C=C/C4=CN=CC=C4)C=CC=C3)/C=C/C5=CN=CC=C5
InChI
InChI=1S/C28H20N2/c1-2-10-24-23(9-1)27(15-13-21-7-5-17-29-19-21)25-11-3-4-12-26(25)28(24)16-14-22-8-6-18-30-20-22/h1-20H
InChIKey
RIFGJAOTVLGZMA-UHFFFAOYSA-N

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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