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CAS 85-02-9 Benzo[f]quinoline molecular structure lightbox
CAS RN: 85-02-9

Benzo[f]quinoline

  • Product code: SSC-192813
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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 85-02-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

85-02-9 / benzo[f]quinoline

Standard CAS: 85-02-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
85-02-9
Multi CAS
No
Molecular Formula
C13H9N
Molecular Weight
179.220000
Exact Mass
179.073499
InChI
InChI=1S/C13H9N/c1-2-5-11-10(4-1)7-8-13-12(11)6-3-9-14-13/h1-9H
InChIKey
HCAUQPZEWLULFJ-UHFFFAOYSA-N

Physical Properties

Melting Point
199 to 201 °F (NTP, 1992)
Boiling Point
662 °F at 721 mmHg (NTP, 1992)
Physical Description
Benzo[f]quinoline appears as yellow crystals or white powder. Characteristic irritating odor. (NTP, 1992) Solid; [Merck Index] Yellow or white solid with a characteristic irritating odor; [CAMEO]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
14
H-bond acceptors
1
Molar refractivity
59.25
TPSA
12.89

LogP / Solubility

WLOGP
3.39
MLOGP
2.98
XLogP3
3.5
Consensus LogP
3.29
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
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)
-1.41

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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