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CAS 1627313-24-9 Pyridine,2,5-bis(3,5-difluorophenyl)- molecular structure lightbox
CAS RN: 1627313-24-9

Pyridine,2,5-bis(3,5-difluorophenyl)-

  • Product code: SSC-070114
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1627313-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 2 In Stock Hong Kong Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
1g ≥97% 1 In Stock Beijing Inquiry
5g ≥97% 1 In Stock Shanghai Inquiry

1627313-24-9 / 2,5-bis(3,5-difluorophenyl)pyridine

Standard CAS: 1627313-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1627313-24-9
Multi CAS
No
Molecular Formula
C17H9F4N
Molecular Weight
303.250000
Exact Mass
303.067112
SMILES
C1=CC(=NC=C1C2=CC(=CC(=C2)F)F)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C17H9F4N/c18-13-3-11(4-14(19)7-13)10-1-2-17(22-9-10)12-5-15(20)8-16(21)6-12/h1-9H
InChIKey
WGFSSQDRQUTJCY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
74.94
TPSA
12.89

LogP / Solubility

WLOGP
4.97
MLOGP
4.39
XLogP3
4.5
Consensus LogP
4.62
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
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)
-1.04

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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