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CAS 109559-47-9 1,10-Phenanthroline, 2-phenyl- molecular structure lightbox
CAS RN: 109559-47-9

1,10-Phenanthroline, 2-phenyl-

  • Product code: SSC-010935
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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 109559-47-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

109559-47-9 / 2-phenyl-1,10-phenanthroline

2-phenyl-1,10-phenanthroline | DTXSID50563352 | RefChem:265130

Standard CAS: 109559-47-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
109559-47-9
Multi CAS
No
Molecular Formula
C18H12N2
Molecular Weight
256.300000
Exact Mass
256.100048
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=CC4=C3N=CC=C4)C=C2
InChI
InChI=1S/C18H12N2/c1-2-5-13(6-3-1)16-11-10-15-9-8-14-7-4-12-19-17(14)18(15)20-16/h1-12H
InChIKey
IYKBMPHOPLFHAQ-UHFFFAOYSA-N
Synonyms
2-phenyl-1,10-phenanthroline DTXSID50563352 RefChem:265130 DTXCID10514128 1,10-Phenanthroline, 2-phenyl-

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
20
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
82.48
TPSA
25.78

LogP / Solubility

WLOGP
4.45
MLOGP
3.92
XLogP3
4.1
Consensus LogP
4.16
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
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)
-1.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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