![CAS 619334-93-9 (R)-(-)-4,12-BIS(DI-3,5-XYLYLPHOSPHINO)[2.2]PARACYCLOPHANE(1,5-CYCLOOCTADIENE)RHODIUM(I) TETRAFLUOROBORATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/619334-93-9.gif)
CAS RN: 619334-93-9
(R)-(-)-4,12-BIS(DI-3,5-XYLYLPHOSPHINO)[2.2]PARACYCLOPHANE(1,5-CYCLOOCTADIENE)RHODIUM(I) TETRAFLUOROBORATE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250927 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS619334-93-9
- Purity/Analytical Methods: >99.0%
619334-93-9 / [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate
Basic Information
CAS
619334-93-9
Multi CAS
Yes
Molecular Formula
BC56F4H62P2Rh
Molecular Weight
986.700000
Exact Mass
986.341090
InChI
InChI=1S/C48H50P2.C8H12.BF4.Rh/c1-31-17-32(2)22-43(21-31)49(44-23-33(3)18-34(4)24-44)47-29-39-9-13-41(47)15-11-40-10-14-42(16-12-39)48(30-40)50(45-25-35(5)19-36(6)26-45)46-27-37(7)20-38(8)28-46;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;
InChIKey
APILCLFERIYDHA-ONEVTFJLSA-N
Computed Properties
Structural Parameters
Heavy atom count
64
Aromatic heavy atom count
36
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
269.94
TPSA
0.0000
LogP / Solubility
WLOGP
13.52
MLOGP
12
XLogP3
13.52
Consensus LogP
13.01
Log S (ESOL)
-14.5
Class (ESOL)
Insoluble
Log S (Ali)
-17.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.86
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
10
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