CAS RN: 31876-74-1

Tris(1,10-phenanthroline)cobalt(II) Bis(hexafluorophosphate)

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 10g In stock Shanghai Inquiry
Batchno.20250419 1g In stock Shanghai Inquiry
Batchno.20260515 250mg In stock Shanghai Inquiry
Batchno.20251210 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20260218 5g In stock Shanghai Inquiry
  • Product code: ICTT3553
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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31876-74-1 / cobalt(2+);tris(1,10-phenanthroline);dihexafluorophosphate

Standard CAS: 31876-74-1 Multi CAS: No

Basic Information

CAS
31876-74-1
Multi CAS
No
Molecular Formula
C37F12H24N6OP2
Molecular Weight
889.500000
Exact Mass
889.067800
InChI
InChI=1S/3C12H8N2.Co.2F6P/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2*1-7(2,3,4,5)6/h3*1-8H;;;/q;;;+2;2*-1
InChIKey
XOLDWYRTFCWAIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
42
H-bond acceptors
6
Molar refractivity
198.27
TPSA
77.34

LogP / Solubility

WLOGP
15.11
MLOGP
13.38
XLogP3
15.11
Consensus LogP
14.53
Log S (ESOL)
-15.42
Class (ESOL)
Insoluble
Log S (Ali)
-17.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.98
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.58

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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