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CAS 87674-14-4 1-(3-FLUORO-2-PYRIDYL)ETHANOL molecular structure lightbox
CAS RN: 87674-14-4

1-(3-FLUORO-2-PYRIDYL)ETHANOL

  • Product code: SSC-197878
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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 87674-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

87674-14-4 / 1-(3-fluoro-2-pyridinyl)ethanol

Standard CAS: 87674-14-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
87674-14-4
Multi CAS
No
Molecular Formula
C7FH8NO
Molecular Weight
141.140000
Exact Mass
141.058992
InChI
InChI=1S/C7H8FNO/c1-5(10)7-6(8)3-2-4-9-7/h2-5,10H,1H3
InChIKey
VWXJHLSFAQVXJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.83
TPSA
33.12

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
0.5
Consensus LogP
0.96
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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