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CAS 88754-96-5 6-Fluoro-2-methyl-4-chromanone molecular structure lightbox
CAS RN: 88754-96-5

6-Fluoro-2-methyl-4-chromanone

  • Product code: SSC-200311
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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: 5g
  • 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 88754-96-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

88754-96-5 / 6-fluoro-2-methyl-2,3-dihydrochromen-4-one

Standard CAS: 88754-96-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88754-96-5
Multi CAS
No
Molecular Formula
C10FH9O2
Molecular Weight
180.170000
Exact Mass
180.058658
InChI
InChI=1S/C10H9FO2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6H,4H2,1H3
InChIKey
RPAIBTVEPAACRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
Molar refractivity
45.44
TPSA
26.3

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
1.9
Consensus LogP
2
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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