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CAS 1429342-59-5 4,4′-(2,5-Difluoro-1,4-Phenylene)Dipyridine molecular structure lightbox
CAS RN: 1429342-59-5

4,4′-(2,5-Difluoro-1,4-Phenylene)Dipyridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260216 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LIND887275
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1429342-59-5 / 4-(2,5-difluoro-4-pyridin-4-ylphenyl)pyridine

Standard CAS: 1429342-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1429342-59-5
Multi CAS
No
Molecular Formula
C16H10F2N2
Molecular Weight
268.260000
Exact Mass
268.081205
SMILES
C1=CN=CC=C1C2=CC(=C(C=C2F)C3=CC=NC=C3)F
InChI
InChI=1S/C16H10F2N2/c17-15-10-14(12-3-7-20-8-4-12)16(18)9-13(15)11-1-5-19-6-2-11/h1-10H
InChIKey
AIOCLFOJLLFDOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
72.82
TPSA
25.78

LogP / Solubility

WLOGP
4.09
MLOGP
3.61
XLogP3
3.2
Consensus LogP
3.63
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
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)
-1.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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