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CAS 887974-19-8 [5-(2,4-DIFLUOROPHENYL)PYRIDIN-3-YL]METHANOL molecular structure lightbox
CAS RN: 887974-19-8

[5-(2,4-DIFLUOROPHENYL)PYRIDIN-3-YL]METHANOL

  • Product code: SSC-200489
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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, 5g
  • 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 887974-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

887974-19-8 / [5-(2,4-difluorophenyl)-3-pyridinyl]methanol

Standard CAS: 887974-19-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
887974-19-8
Multi CAS
Yes
Molecular Formula
C12F2H9NO
Molecular Weight
221.200000
Exact Mass
221.065220
InChI
InChI=1S/C12H9F2NO/c13-10-1-2-11(12(14)4-10)9-3-8(7-16)5-15-6-9/h1-6,16H,7H2
InChIKey
JOJPCPUIZPIDTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.51
TPSA
33.12

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
1.8
Consensus LogP
2.18
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

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

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