CAS RN: 213343-64-7
(+)-1,2-BIS((2S,5S)-2,5-DIETHYLPHOSPHOLANO)BENZENE(CYCLOOCTADIENE)RHODIUM(L)TETRAFLUOROBORATE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251103 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS213343-64-7
- Purity/Analytical Methods: >99.0%
213343-64-7 / (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
Basic Information
CAS
213343-64-7
Multi CAS
No
Molecular Formula
C30H48BF4P2Rh-
Molecular Weight
660.400000
Exact Mass
660.231540
SMILES
[B-](F)(F)(F)F.CC[C@@H]1P([C@H](CC1)CC)C2=CC=CC=C2P3[C@H](CC[C@@H]3CC)CC.C1/C=C\CC/C=C\C1.[Rh]
InChI
InChI=1S/C22H36P2.C8H12.BF4.Rh/c1-5-17-13-14-18(6-2)23(17)21-11-9-10-12-22(21)24-19(7-3)15-16-20(24)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h9-12,17-20H,5-8,13-16H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t17-,18-,19-,20-;;;/m0.../s1
InChIKey
XIOPHSBHVOCZMM-ZCTOJWETSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
161.27
TPSA
0.0000
LogP / Solubility
WLOGP
10.57
MLOGP
9.36
XLogP3
10.57
Consensus LogP
10.17
Log S (ESOL)
-10.32
Class (ESOL)
Insoluble
Log S (Ali)
-12.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.45
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)
0.76
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
6.5
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![CAS 213343-66-9 Rhodium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene][(2R,2’R,5R,5’R)-1,1′-(1,2-ethanediyl)bis[2,5-diethylphospholane-κP]]-, tetrafluoroborate(1-) (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/213343-66-9.gif)
![CAS 213343-68-1 Rhodium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene][(2S,2’S,5S,5’S)-1,1′-(1,2-ethanediyl)bis[2,5-bis(1-methylethyl)phospholane-κP]]-, tetrafluoroborate(1-) (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/213343-68-1.gif)
