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CAS 458541-39-4 2-(3-phenylphenyl)pyridine molecular structure lightbox
CAS RN: 458541-39-4

2-(3-phenylphenyl)pyridine

  • Product code: SSC-153471
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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 458541-39-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

458541-39-4 / 2-(3-phenylphenyl)pyridine

Standard CAS: 458541-39-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
458541-39-4
Multi CAS
No
Molecular Formula
C17H13N
Molecular Weight
231.290000
Exact Mass
231.104799
InChI
InChI=1S/C17H13N/c1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17/h1-13H
InChIKey
QWVOHJGKYCTVIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
75.11
TPSA
12.89

LogP / Solubility

WLOGP
4.42
MLOGP
3.89
XLogP3
4.3
Consensus LogP
4.2
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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

Drug-likeness / Medicinal Chemistry

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

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