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CAS 70631-81-1 5-Fluoronaphthalene-2-carboxaldehyde molecular structure lightbox
CAS RN: 70631-81-1

5-Fluoronaphthalene-2-carboxaldehyde

  • Product code: SSC-180372
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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: 0.25g
  • 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 70631-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

70631-81-1 / 5-fluoronaphthalene-2-carbaldehyde

Standard CAS: 70631-81-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70631-81-1
Multi CAS
No
Molecular Formula
C11FH7O
Molecular Weight
174.170000
Exact Mass
174.048093
InChI
InChI=1S/C11H7FO/c12-11-3-1-2-9-6-8(7-13)4-5-10(9)11/h1-7H
InChIKey
GVZGQFWCUNBEGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.29
TPSA
17.07

LogP / Solubility

WLOGP
2.79
MLOGP
2.45
XLogP3
3.6
Consensus LogP
2.95
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-1.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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