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CAS 18345-95-4 1-(10H-phenazin-5-yl)ethanone molecular structure lightbox
CAS RN: 18345-95-4

1-(10H-phenazin-5-yl)ethanone

  • Product code: SSC-084852
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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 18345-95-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

18345-95-4 / 1-(10H-phenazin-5-yl)ethanone

Standard CAS: 18345-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18345-95-4
Multi CAS
No
Molecular Formula
C14H12N2O
Molecular Weight
224.260000
Exact Mass
224.094963
SMILES
CC(=O)N1C2=CC=CC=C2NC3=CC=CC=C31
InChI
InChI=1S/C14H12N2O/c1-10(17)16-13-8-4-2-6-11(13)15-12-7-3-5-9-14(12)16/h2-9,15H,1H3
InChIKey
QLLWFQUIOUAXLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.99
TPSA
32.34

LogP / Solubility

WLOGP
3.43
MLOGP
3.02
XLogP3
2.8
Consensus LogP
3.08
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

Drug-likeness / Medicinal Chemistry

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

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