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CAS 213343-69-2 (-)-1,2-BIS((2S,5S)-2,5-DIMETHYLPHOSPHOLANO)ETHANE(CYCLOOCTADIENE)RHODIUM(I)TRIFLUOROMETHANESULFONATE,98+%(S,S)-ME-BPE-RH molecular structure lightbox
CAS RN: 213343-69-2

(-)-1,2-BIS((2S,5S)-2,5-DIMETHYLPHOSPHOLANO)ETHANE(CYCLOOCTADIENE)RHODIUM(I)TRIFLUOROMETHANESULFONATE,98+%(S,S)-ME-BPE-RH

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250512 100mg In stock Chengdu Inquiry
Batchno.20250418 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250323 1g Out of stock Inquiry
Batchno.20260115 250mg Out of stock Inquiry
  • Product code: starshine_CAS213343-69-2
  • Purity/Analytical Methods: >99.0%
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213343-69-2 / (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane;rhodium;trifluoromethanesulfonate

Standard CAS: 213343-69-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
213343-69-2
Multi CAS
No
Molecular Formula
C23H40F3O3P2RhS-
Molecular Weight
618.500000
Exact Mass
618.118040
SMILES
C[C@@H]1P([C@H](CC1)C)CCP2[C@H](CC[C@@H]2C)C.C1/C=C\CC/C=C\C1.C(S(=O)(=O)[O-])(F)(F)F.[Rh]
InChI
InChI=1S/C14H28P2.C8H12.CHF3O3S.Rh/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4;1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h11-14H,5-10H2,1-4H3;1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b;2-1-,8-7-;;/t11-,12-,13-,14-;;;/m0.../s1
InChIKey
LQQSHTWLDKZMBA-ASDDUFFSSA-M

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
132.39
TPSA
57.2

LogP / Solubility

WLOGP
7.81
MLOGP
6.93
XLogP3
7.81
Consensus LogP
7.52
Log S (ESOL)
-8.4
Class (ESOL)
Insoluble
Log S (Ali)
-10.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.53
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)
-0.95

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
4.5

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