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CAS 110144-22-4 1,4-bis[2-(4-pyridy1)ethenyl]benze molecular structure lightbox
CAS RN: 110144-22-4

1,4-bis[2-(4-pyridy1)ethenyl]benze

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250817 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20251023 1g In stock Shanghai Inquiry
Batchno.20250427 250mg In stock Shanghai Inquiry
Batchno.20251223 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS110144-22-4
  • Purity/Analytical Methods: >99.0%
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110144-22-4 / 4-[(E)-2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine

1,4-Bis(2-(pyridin-4-yl)vinyl)benzene | 4-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine | Pyridine, 4,4'-(1,4-phenylenedi-2,1-ethenediyl)bis-

Standard CAS: 110144-22-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
110144-22-4
Multi CAS
Yes
Molecular Formula
C20H16N2
Molecular Weight
284.400000
Exact Mass
284.131349
SMILES
C1=CC(=CC=C1/C=C/C2=CC=NC=C2)/C=C/C3=CC=NC=C3
InChI
InChI=1S/C20H16N2/c1-2-18(6-8-20-11-15-22-16-12-20)4-3-17(1)5-7-19-9-13-21-14-10-19/h1-16H
InChIKey
QRZWEROLVZUPJH-UHFFFAOYSA-N
Synonyms
1,4-Bis(2-(pyridin-4-yl)vinyl)benzene 4-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine Pyridine, 4,4'-(1,4-phenylenedi-2,1-ethenediyl)bis- YSWG182 SCHEMBL135604

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
92.77
TPSA
25.78

LogP / Solubility

WLOGP
4.82
MLOGP
4.25
XLogP3
4.3
Consensus LogP
4.46
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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