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CAS 207124-65-0 BIS(1 5-CYCLOOCTADIENE)RHODIUM(I) molecular structure lightbox
CAS RN: 207124-65-0

BIS(1 5-CYCLOOCTADIENE)RHODIUM(I)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250918 100mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS207124-65-0
  • Purity/Analytical Methods: >99.0%
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207124-65-0 / bis((1Z,5Z)-cycloocta-1,5-diene);rhodium;tetrafluoroborate;hydrate

Standard CAS: 207124-65-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207124-65-0
Multi CAS
No
Molecular Formula
C16H26BF4ORh-
Molecular Weight
424.100000
Exact Mass
424.106780
SMILES
[B-](F)(F)(F)F.C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.O.[Rh]
InChI
InChI=1S/2C8H12.BF4.H2O.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*1-2,7-8H,3-6H2;;1H2;/q;;-1;;/b2*2-1-,8-7-;;;
InChIKey
RVVSQTPAHKVLPL-DIURZKMRSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
87.3
TPSA
31.5

LogP / Solubility

WLOGP
5.82
MLOGP
5.15
XLogP3
5.82
Consensus LogP
5.6
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.25
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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