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CAS 843644-23-5 6,8-Difluoro-2-tetralone molecular structure lightbox
CAS RN: 843644-23-5

6,8-Difluoro-2-tetralone

  • Product code: SSC-191881
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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 843644-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

843644-23-5 / 6,7-difluoro-3,4-dihydro-1H-naphthalen-2-one

Standard CAS: 843644-23-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
843644-23-5
Multi CAS
Yes
Molecular Formula
C10F2H8O
Molecular Weight
182.170000
Exact Mass
182.054321
InChI
InChI=1S/C10H8F2O/c11-7-3-6-1-2-8(13)5-9(6)10(12)4-7/h3-4H,1-2,5H2
InChIKey
JDIYLARKCSUHBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
43.39
TPSA
17.07

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1.8
Consensus LogP
1.87
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.4

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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