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CAS 61788-71-4 NICKEL NAPHTHENATE molecular structure lightbox
CAS RN: 61788-71-4

NICKEL NAPHTHENATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 50g / 250g / 1kg / 5kg Confirm by inquiry Shandong, Guangdong Inquiry
  • Product code: starshine_CAS61788-71-4
  • Purity/Analytical Methods: >99.0%
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61788-71-4 / bis(naphthalene-2-carboxylate);nickel(2+)

Standard CAS: 61788-71-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61788-71-4
Multi CAS
Yes
Molecular Formula
C22H14INO4
Molecular Weight
401.000000
Exact Mass
400.024551
InChI
InChI=1S/2C11H8O2.Ni/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
InChIKey
UIEKYBOPAVTZKW-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
20
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
96.56
TPSA
80.26

LogP / Solubility

WLOGP
2.4
MLOGP
2.14
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
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)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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