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CAS 46360-78-5 Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate molecular structure lightbox
CAS RN: 46360-78-5

Bis(acetonitrile)(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260228 100mg Out of stock Inquiry
Batchno.20250530 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260615 1g Out of stock Inquiry
Batchno.20250606 250mg In stock Shenzhen Inquiry
  • Product code: starshine_CAS46360-78-5
  • Purity/Analytical Methods: >99.0%
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46360-78-5 / bis(acetonitrile);cycloocta-1,5-diyne;rhodium

Standard CAS: 46360-78-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
46360-78-5
Multi CAS
Yes
Molecular Formula
C12H14N2Rh
Molecular Weight
289.160000
Exact Mass
289.021190
InChI
InChI=1S/C8H12.2C2H3N.Rh/c1-2-4-6-8-7-5-3-1;2*1-2-3;/h1-2,7-8H,3-6H2;2*1H3;
InChIKey
YPJQLJYTVPZBNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
56.59
TPSA
47.58

LogP / Solubility

WLOGP
2.62
MLOGP
2.32
XLogP3
2.62
Consensus LogP
2.52
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

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

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