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CAS 943861-95-8 2,9-dibromo-1,10-phenanthroline-5,6-dione molecular structure lightbox
CAS RN: 943861-95-8

2,9-dibromo-1,10-phenanthroline-5,6-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251111 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-209162
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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 943861-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

943861-95-8 / 2,9-dibromo-1,10-phenanthroline-5,6-dione

Standard CAS: 943861-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
943861-95-8
Multi CAS
No
Molecular Formula
C12H4BR2N2O2
Molecular Weight
367.980000
Exact Mass
367.861900
InChI
InChI=1S/C12H4Br2N2O2/c13-7-3-1-5-9(15-7)10-6(12(18)11(5)17)2-4-8(14)16-10/h1-4H
InChIKey
PVWHEXBKSREKSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
H-bond acceptors
4
Molar refractivity
71.53
TPSA
59.92

LogP / Solubility

WLOGP
3.05
MLOGP
2.7
XLogP3
2.6
Consensus LogP
2.78
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

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

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