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CAS 208054-09-5 1,10-Dihydro-2,9-dimethyl-1,10-phenanthroline-4,7-dione molecular structure lightbox
CAS RN: 208054-09-5

1,10-Dihydro-2,9-dimethyl-1,10-phenanthroline-4,7-dione

  • Product code: SSC-097871
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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 208054-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

208054-09-5 / 2,9-dimethyl-1,10-dihydro-1,10-phenanthroline-4,7-dione

Standard CAS: 208054-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208054-09-5
Multi CAS
No
Molecular Formula
C14H12N2O2
Molecular Weight
240.260000
Exact Mass
240.089878
SMILES
CC1=CC(=O)C2=C(N1)C3=C(C=C2)C(=O)C=C(N3)C
InChI
InChI=1S/C14H12N2O2/c1-7-5-11(17)9-3-4-10-12(18)6-8(2)16-14(10)13(9)15-7/h3-6H,1-2H3,(H,15,17)(H,16,18)
InChIKey
IPOUIVFZUKIUAL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
72.17
TPSA
65.72

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.9
Consensus LogP
1.88
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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