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CAS 217-65-2 DIBENZO(F H)QUINOLINE molecular structure lightbox
CAS RN: 217-65-2

DIBENZO(F H)QUINOLINE

  • Product code: SSC-104437
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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 217-65-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

217-65-2 / phenanthro[9,10-b]pyridine

Standard CAS: 217-65-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
217-65-2
Multi CAS
No
Molecular Formula
C17H11N
Molecular Weight
229.270000
Exact Mass
229.089149
SMILES
C1=CC=C2C(=C1)C3=C(C4=CC=CC=C24)N=CC=C3
InChI
InChI=1S/C17H11N/c1-2-7-14-12(6-1)13-8-3-4-9-15(13)17-16(14)10-5-11-18-17/h1-11H
InChIKey
RIYPENPUNLHEBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
18
H-bond acceptors
1
Molar refractivity
76.76
TPSA
12.89

LogP / Solubility

WLOGP
4.54
MLOGP
4
XLogP3
3.8
Consensus LogP
4.11
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89

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
2

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