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CAS 79069-70-8 1,5-Difluoro-2,4-dimethoxybenzene molecular structure lightbox
CAS RN: 79069-70-8

1,5-Difluoro-2,4-dimethoxybenzene

  • Product code: SSC-188302
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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, 1g, 5g, 10g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • 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 79069-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry

79069-70-8 / 1,5-difluoro-2,4-dimethoxybenzene

Standard CAS: 79069-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79069-70-8
Multi CAS
No
Molecular Formula
C8F2H8O2
Molecular Weight
174.140000
Exact Mass
174.049236
InChI
InChI=1S/C8H8F2O2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,1-2H3
InChIKey
INATUVGKCBFRFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
39.46
TPSA
18.46

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
2.1
Consensus LogP
1.94
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.38

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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