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CAS 398-62-9 4-Fluoro-1,2-dimethoxybenzene molecular structure lightbox
CAS RN: 398-62-9

4-Fluoro-1,2-dimethoxybenzene

  • Product code: SSC-147547
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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, 5g, 10g, 25g
  • 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 398-62-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

398-62-9 / 4-fluoro-1,2-dimethoxybenzene

Standard CAS: 398-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
398-62-9
Multi CAS
No
Molecular Formula
C8FH9O2
Molecular Weight
156.150000
Exact Mass
156.058658
InChI
InChI=1S/C8H9FO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
InChIKey
DAGKHJDZYJFWSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
39.5
TPSA
18.46

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
2.2
Consensus LogP
1.89
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.36

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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