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CAS 12279-09-3 Chlorobis(cyclooctene)rhodium(I) Dimer molecular structure lightbox
CAS RN: 12279-09-3

Chlorobis(cyclooctene)rhodium(I) Dimer

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7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250214 100mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
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Batchno.20250513 100mg In stock Shanghai Inquiry
Batchno.20250512 1g In stock Shanghai Inquiry
Batchno.20250913 250mg In stock Shanghai Inquiry
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Batchno.20260331 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250325 1g In stock Shanghai Inquiry
Batchno.20250318 250mg In stock Shanghai, Chengdu Inquiry
  • Product code: ICTC2253
  • Purity/Analytical Methods: >96.0%(T)
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12279-09-3 / cyclooctene;bis(rhodium);dichloride

Standard CAS: 12279-09-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
12279-09-3
Multi CAS
No
Molecular Formula
C32H56Cl2Rh2-2
Molecular Weight
717.500000
Exact Mass
716.186900
SMILES
C1CC/C=C\CCC1.C1CC/C=C\CCC1.C1CC/C=C\CCC1.C1CC/C=C\CCC1.[Cl-].[Cl-].[Rh].[Rh]
InChI
InChI=1S/4C8H14.2ClH.2Rh/c4*1-2-4-6-8-7-5-3-1;;;;/h4*1-2H,3-8H2;2*1H;;/p-2/b4*2-1-;;;;
InChIKey
ZFCBAJWXKUDJSW-XFCUKONHSA-L

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
147.37
TPSA
0.0000

LogP / Solubility

WLOGP
5.59
MLOGP
4.98
XLogP3
5.59
Consensus LogP
5.39
Log S (ESOL)
-7.81
Class (ESOL)
Insoluble
Log S (Ali)
-9.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.96
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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