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CAS 208054-15-3 4,7-Dichloro-2,9-dimethyl-1,10-phenanthroline molecular structure lightbox
CAS RN: 208054-15-3

4,7-Dichloro-2,9-dimethyl-1,10-phenanthroline

  • Product code: SSC-097872
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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: 0.25g
  • 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 208054-15-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

208054-15-3 / 4,7-dichloro-2,9-dimethyl-1,10-phenanthroline

Standard CAS: 208054-15-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208054-15-3
Multi CAS
No
Molecular Formula
C14H10Cl2N2
Molecular Weight
277.100000
Exact Mass
276.022104
SMILES
CC1=CC(=C2C=CC3=C(C=C(N=C3C2=N1)C)Cl)Cl
InChI
InChI=1S/C14H10Cl2N2/c1-7-5-11(15)9-3-4-10-12(16)6-8(2)18-14(10)13(9)17-7/h3-6H,1-2H3
InChIKey
SCEUZNMSPNDKPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
76.54
TPSA
25.78

LogP / Solubility

WLOGP
4.71
MLOGP
4.15
XLogP3
4.5
Consensus LogP
4.45
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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)
-1.07

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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