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CAS 133342-43-5 Phenol, 2-(1,1-dimethylethyl)-6-fluoro- molecular structure lightbox
CAS RN: 133342-43-5

Phenol, 2-(1,1-dimethylethyl)-6-fluoro-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250118 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-040039
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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: 1g
  • 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 133342-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

133342-43-5 / 2-tert-butyl-6-fluorophenol

Standard CAS: 133342-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133342-43-5
Multi CAS
No
Molecular Formula
C10H13FO
Molecular Weight
168.210000
Exact Mass
168.095043
SMILES
CC(C)(C)C1=C(C(=CC=C1)F)O
InChI
InChI=1S/C10H13FO/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6,12H,1-3H3
InChIKey
HXSHBPODBUFXPT-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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