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CAS 357611-22-4 2-tert-butyl-4-fluorophenol molecular structure lightbox
CAS RN: 357611-22-4

2-tert-butyl-4-fluorophenol

  • Product code: SSC-142822
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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: 0.1g, 0.25g, 5g, 1g
  • 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 357611-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Shanghai Inquiry
1g >97% 1 In Stock Shenzhen Inquiry

357611-22-4 / 2-tert-butyl-4-fluorophenol

Standard CAS: 357611-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
357611-22-4
Multi CAS
No
Molecular Formula
C10FH13O
Molecular Weight
168.210000
Exact Mass
168.095043
InChI
InChI=1S/C10H13FO/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,12H,1-3H3
InChIKey
FCERNOPRZOOFSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.76
TPSA
20.23

LogP / Solubility

WLOGP
2.83
MLOGP
2.49
XLogP3
3.3
Consensus LogP
2.87
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-1.74

Drug-likeness / Medicinal Chemistry

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

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