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CAS 1415393-43-9 4,4′-(2,5-dimethoxy-1,4-phenylene)dipyridine molecular structure lightbox
CAS RN: 1415393-43-9

4,4′-(2,5-dimethoxy-1,4-phenylene)dipyridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251214 250mg In stock Shanghai Inquiry
  • Product code: LIND887116
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1415393-43-9 / 4-(2,5-dimethoxy-4-pyridin-4-ylphenyl)pyridine

Standard CAS: 1415393-43-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415393-43-9
Multi CAS
No
Molecular Formula
C18H16N2O2
Molecular Weight
292.300000
Exact Mass
292.121178
SMILES
COC1=CC(=C(C=C1C2=CC=NC=C2)OC)C3=CC=NC=C3
InChI
InChI=1S/C18H16N2O2/c1-21-17-11-16(14-5-9-20-10-6-14)18(22-2)12-15(17)13-3-7-19-8-4-13/h3-12H,1-2H3
InChIKey
QFLTVIGJZBWUMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
86.01
TPSA
44.24

LogP / Solubility

WLOGP
3.83
MLOGP
3.38
XLogP3
3
Consensus LogP
3.4
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
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)
-1.79

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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