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CAS 17556-44-4 2,2,2-trifluoro-1-(naphthalen-1-yl)ethanol molecular structure lightbox
CAS RN: 17556-44-4

2,2,2-trifluoro-1-(naphthalen-1-yl)ethanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-077025
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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: 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 17556-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

17556-44-4 / 2,2,2-trifluoro-1-naphthalen-1-ylethanol

Standard CAS: 17556-44-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17556-44-4
Multi CAS
No
Molecular Formula
C12H9F3O
Molecular Weight
226.190000
Exact Mass
226.060549
SMILES
C1=CC=C2C(=C1)C=CC=C2C(C(F)(F)F)O
InChI
InChI=1S/C12H9F3O/c13-12(14,15)11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11,16H
InChIKey
RATZWCVDALBRJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.96
TPSA
20.23

LogP / Solubility

WLOGP
3.44
MLOGP
3.03
XLogP3
3.4
Consensus LogP
3.29
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-1.66

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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