CAS RN: 887917-75-1

“6′-(3-Pyridinyl)-3,2′:4′,4”-terpyridine”

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Batchno.20260605 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS887917-75-1
  • Purity/Analytical Methods: >99.0%
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887917-75-1 / 2,6-dipyridin-3-yl-4-pyridin-4-ylpyridine

Standard CAS: 887917-75-1 Multi CAS: No

Basic Information

CAS
887917-75-1
Multi CAS
No
Molecular Formula
C20H14N4
Molecular Weight
310.400000
Exact Mass
310.121846
InChI
InChI=1S/C20H14N4/c1-3-16(13-22-7-1)19-11-18(15-5-9-21-10-6-15)12-20(24-19)17-4-2-8-23-14-17/h1-14H
InChIKey
LBNUXZTUJGZUCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
93.93
TPSA
51.56

LogP / Solubility

WLOGP
4.27
MLOGP
3.77
XLogP3
2.6
Consensus LogP
3.55
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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