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CAS 22980-76-3 (T-4)-Dichloro(1,10-phenanthroline-κN1,κN10)nickel molecular structure lightbox
CAS RN: 22980-76-3

(T-4)-Dichloro(1,10-phenanthroline-κN1,κN10)nickel

Product Availability

Choose a grade to view its available package options.

5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250710 100g Out of stock Inquiry
Batchno.20260328 1g In stock Shanghai Inquiry
Batchno.20251015 1g / 5g / 25g / 100g Out of stock 8-10 business days Inquiry
Batchno.20260531 25g In stock Tianjin, Chengdu Inquiry
Batchno.20251006 5g In stock Shanghai Inquiry
  • Product code: SSC-111679
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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, 5g, 10g, 25g
  • Available purity: ≥97%
  • 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 22980-76-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

22980-76-3 / dichloronickel;1,10-phenanthroline

Standard CAS: 22980-76-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22980-76-3
Multi CAS
No
Molecular Formula
C12H8Cl2N2Ni
Molecular Weight
309.800000
Exact Mass
307.941795
SMILES
C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.Cl[Ni]Cl
InChI
InChI=1S/C12H8N2.2ClH.Ni/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-8H;2*1H;/q;;;+2/p-2
InChIKey
RMTGLTCLJRSHSB-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
H-bond acceptors
2
Molar refractivity
68.75
TPSA
25.78

LogP / Solubility

WLOGP
4.16
MLOGP
3.67
XLogP3
4.16
Consensus LogP
4
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66

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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