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CAS 75487-84-2 6-FLUORO-2-METHYLCHROMONE 97 molecular structure lightbox
CAS RN: 75487-84-2

6-FLUORO-2-METHYLCHROMONE 97

  • Product code: SSC-184939
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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: ≥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 75487-84-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

75487-84-2 / 6-fluoro-2-methylchromen-4-one

Standard CAS: 75487-84-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75487-84-2
Multi CAS
No
Molecular Formula
C10FH7O2
Molecular Weight
178.160000
Exact Mass
178.043008
InChI
InChI=1S/C10H7FO2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3
InChIKey
AAJQKJFTPTZHSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
Molar refractivity
47.18
TPSA
30.21

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2.8
Consensus LogP
2.34
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
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
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22

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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