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CAS 1805874-45-6 1-(3-fluoro-5-(trifluoromethyl)pyridine-2-yl)ethan-1-ol molecular structure lightbox
CAS RN: 1805874-45-6

1-(3-fluoro-5-(trifluoromethyl)pyridine-2-yl)ethan-1-ol

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260328 100mg Out of stock Inquiry
Batchno.20250326 250mg Out of stock Inquiry
  • Product code: SSC-081558
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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: 0.25g
  • 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 1805874-45-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1805874-45-6 / 1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethanol

Standard CAS: 1805874-45-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1805874-45-6
Multi CAS
No
Molecular Formula
C8H7F4NO
Molecular Weight
209.140000
Exact Mass
209.046377
SMILES
CC(C1=C(C=C(C=N1)C(F)(F)F)F)O
InChI
InChI=1S/C8H7F4NO/c1-4(14)7-6(9)2-5(3-13-7)8(10,11)12/h2-4,14H,1H3
InChIKey
WDPXHBGMBBCJPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.83
TPSA
33.12

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
1.4
Consensus LogP
1.9
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly 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)
-2.37

Drug-likeness / Medicinal Chemistry

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

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