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CAS 79538-03-7 2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol molecular structure lightbox
CAS RN: 79538-03-7

2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250302 100g In stock Shanghai Inquiry
Batchno.20250319 25g In stock Shanghai Inquiry
Batchno.20260609 5g In stock Shanghai Inquiry
  • Product code: SSC-188677
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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, 25g, 5g, 10g, 100g
  • Available purity: >97%
  • 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 79538-03-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 3 In Stock Shanghai Inquiry
25g >97% 2 In Stock Beijing Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

79538-03-7 / (2,3,5,6-tetrafluoro-4-methylphenyl)methanol

Standard CAS: 79538-03-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79538-03-7
Multi CAS
No
Molecular Formula
C8F4H6O
Molecular Weight
194.130000
Exact Mass
194.035477
InChI
InChI=1S/C8H6F4O/c1-3-5(9)7(11)4(2-13)8(12)6(3)10/h13H,2H2,1H3
InChIKey
PJCSTULKVNHEGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.93
TPSA
20.23

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately 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)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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