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CAS 5385-52-4 1-fluoro-2-nitronaphthalene molecular structure lightbox
CAS RN: 5385-52-4

1-fluoro-2-nitronaphthalene

  • Product code: SSC-161255
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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 5385-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5385-52-4 / 1-fluoro-2-nitronaphthalene

Standard CAS: 5385-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5385-52-4
Multi CAS
No
Molecular Formula
C10FH6NO2
Molecular Weight
191.160000
Exact Mass
191.038257
InChI
InChI=1S/C10H6FNO2/c11-10-8-4-2-1-3-7(8)5-6-9(10)12(13)14/h1-6H
InChIKey
MHLZZAXGYDSTAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.56
TPSA
43.14

LogP / Solubility

WLOGP
2.89
MLOGP
2.54
XLogP3
3.1
Consensus LogP
2.84
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-1.84

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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