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CAS 2338-56-9 4-FLUORO-2,6-DIMETHYLPHENOL molecular structure lightbox
CAS RN: 2338-56-9

4-FLUORO-2,6-DIMETHYLPHENOL

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250222 1g In stock Inquiry
Batchno.20250414 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250824 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-113108
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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: ＞97%
  • 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 2338-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

2338-56-9 / 4-fluoro-2,6-dimethylphenol

Standard CAS: 2338-56-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2338-56-9
Multi CAS
No
Molecular Formula
C8H9FO
Molecular Weight
140.150000
Exact Mass
140.063743
SMILES
CC1=CC(=CC(=C1O)C)F
InChI
InChI=1S/C8H9FO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey
GNRDTVFZITZMFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.54
TPSA
20.23

LogP / Solubility

WLOGP
2.15
MLOGP
1.88
XLogP3
1.4
Consensus LogP
1.81
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.05

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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