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CAS 1219814-29-5 2,7-Di(pyridin-4-yl)naphthalene molecular structure lightbox
CAS RN: 1219814-29-5

2,7-Di(pyridin-4-yl)naphthalene

  • Product code: SSC-024834
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1219814-29-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1219814-29-5 / 4-(7-pyridin-4-ylnaphthalen-2-yl)pyridine

Standard CAS: 1219814-29-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219814-29-5
Multi CAS
No
Molecular Formula
C20H14N2
Molecular Weight
282.300000
Exact Mass
282.115698
SMILES
C1=CC(=CC2=C1C=CC(=C2)C3=CC=NC=C3)C4=CC=NC=C4
InChI
InChI=1S/C20H14N2/c1-3-18(16-5-9-21-10-6-16)13-20-14-19(4-2-15(1)20)17-7-11-22-12-8-17/h1-14H
InChIKey
LIPOZGCLMORYQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
90.41
TPSA
25.78

LogP / Solubility

WLOGP
4.96
MLOGP
4.38
XLogP3
4.3
Consensus LogP
4.55
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
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)
-0.92

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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