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CAS 574-97-0 1-Fluoronaphthalene-2-Carboxylic Acid(WXC03645) molecular structure lightbox
CAS RN: 574-97-0

1-Fluoronaphthalene-2-Carboxylic Acid(WXC03645)

  • Product code: SSC-165553
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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 574-97-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

574-97-0 / 1-fluoronaphthalene-2-carboxylic acid

Standard CAS: 574-97-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
574-97-0
Multi CAS
No
Molecular Formula
C11FH7O2
Molecular Weight
190.170000
Exact Mass
190.043008
InChI
InChI=1S/C11H7FO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14)
InChIKey
XKFQSLSAPMCGQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.87
TPSA
37.3

LogP / Solubility

WLOGP
2.68
MLOGP
2.35
XLogP3
2.8
Consensus LogP
2.61
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-1.98

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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