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CAS 89586-07-2 6-AMINO-2,2,3,3-TETRAFLUORO-1,4-BENZODIOXAN molecular structure lightbox
CAS RN: 89586-07-2

6-AMINO-2,2,3,3-TETRAFLUORO-1,4-BENZODIOXAN

  • Product code: SSC-201601
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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: 0.25g
  • 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 89586-07-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

89586-07-2 / 2,2,3,3-tetrafluoro-1,4-benzodioxin-6-amine

Standard CAS: 89586-07-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89586-07-2
Multi CAS
Yes
Molecular Formula
C8F4H5NO2
Molecular Weight
223.120000
Exact Mass
223.025641
InChI
InChI=1S/C8H5F4NO2/c9-7(10)8(11,12)15-6-3-4(13)1-2-5(6)14-7/h1-3H,13H2
InChIKey
DCMDRNWAGHTMTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42
TPSA
44.48

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
2.5
Consensus LogP
2.23
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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