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CAS 779-88-4 2,5-BIS(TRIFLUOROMETHYL)PHENOL molecular structure lightbox
CAS RN: 779-88-4

2,5-BIS(TRIFLUOROMETHYL)PHENOL

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250502 10g Out of stock Inquiry
Batchno.20260512 25g Out of stock Inquiry
Batchno.20250130 5g Out of stock Inquiry
  • Product code: SSC-187452
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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: 1g, 5g, 10g, 25g
  • Available purity: >95%
  • 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 779-88-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 4 In Stock Beijing Inquiry
5g >95% 4 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Shanghai Inquiry
25g >95% 1 In Stock Hong Kong Inquiry

779-88-4 / 2,5-bis(trifluoromethyl)phenol

Standard CAS: 779-88-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
779-88-4
Multi CAS
No
Molecular Formula
C8F6H4O
Molecular Weight
230.110000
Exact Mass
230.016634
InChI
InChI=1S/C8H4F6O/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3,15H
InChIKey
OJOPQGWFLQVKDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.11
TPSA
20.23

LogP / Solubility

WLOGP
3.43
MLOGP
3.02
XLogP3
3.3
Consensus LogP
3.25
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly 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)
-1.69

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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