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CAS 33627-02-0 1-(6-Fluoronaphthalen-2-yl)ethanone molecular structure lightbox
CAS RN: 33627-02-0

1-(6-Fluoronaphthalen-2-yl)ethanone

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 25mg / 100mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-139781
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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 33627-02-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

33627-02-0 / 1-(6-fluoronaphthalen-2-yl)ethanone

Standard CAS: 33627-02-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33627-02-0
Multi CAS
No
Molecular Formula
C12FH9O
Molecular Weight
188.200000
Exact Mass
188.063743
InChI
InChI=1S/C12H9FO/c1-8(14)9-2-3-11-7-12(13)5-4-10(11)6-9/h2-7H,1H3
InChIKey
TXXWLEREQYRORU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
53.91
TPSA
17.07

LogP / Solubility

WLOGP
3.18
MLOGP
2.8
XLogP3
3
Consensus LogP
2.99
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly 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)
-1.61

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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