CAS RN: 528565-84-6
(-)-1,2-BIS((2R,5R)-2,5-DIPHENYLPHOSPHOLANO)ETHANE(1,5-CYCLOOCTADIENE)RHODIUM (I) TETRAFLUOROBORATE
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
- Product code: starshine_CAS528565-84-6
- Purity/Analytical Methods: >99.0%
528565-84-6 / (1Z,5Z)-cycloocta-1,5-diene;(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylphospholan-1-yl]ethyl]-2,5-diphenylphospholane;rhodium;tetrafluoroborate
Basic Information
CAS
528565-84-6
Multi CAS
Yes
Molecular Formula
BC42F4H48P2Rh
Molecular Weight
804.500000
Exact Mass
804.231540
InChI
InChI=1S/C34H36P2.C8H12.BF4.Rh/c1-5-13-27(14-6-1)31-21-22-32(28-15-7-2-8-16-28)35(31)25-26-36-33(29-17-9-3-10-18-29)23-24-34(36)30-19-11-4-12-20-30;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-20,31-34H,21-26H2;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t31-,32-,33-,34-;;;/m1.../s1
InChIKey
ZNZBTPZGQIGMKZ-FMUQXVHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
24
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
205.71
TPSA
0.0000
LogP / Solubility
WLOGP
14.47
MLOGP
12.81
XLogP3
14.47
Consensus LogP
13.92
Log S (ESOL)
-13.84
Class (ESOL)
Insoluble
Log S (Ali)
-16.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.74
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)
2.65
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
8
Customers Also Viewed
-
(S)-3-((R)-5-(4-fluorophenyl)-5-hydroxypentanoyl)-4-phenyloxazolidin-2-one
- CAS RN: 528565-93-7
- Product Code: SSC-160001
-
2,6-Dibromo-4,4-dihexyl-4H-cyclopenta[2,1-b:3,4-b’]dithiophene
- CAS RN: 528570-55-0
- Product Code: SSC-160002
-
(1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one
- CAS RN: 528587-70-4
- Product Code: SSC-160004
-
-
-
1,4-Dioxa-7-azaspiro[4.5]decane-7-carboxylic acid, phenylMethyl ester
- CAS RN: 528594-63-0
- Product Code: starshine_CAS528594-63-0
- Purity/Analytical method: >99.0%
![CAS 528570-55-0 2,6-Dibromo-4,4-dihexyl-4H-cyclopenta[2,1-b:3,4-b’]dithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/528570-55-0.gif)
![CAS 528587-70-4 (1S,5R)-1-(3-fluorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/528587-70-4.gif)
![CAS 528593-71-7 5-[(1-Indolyl)Methyl]-3-Methylisoxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/528593-71-7.gif)
![CAS 528594-63-0 1,4-Dioxa-7-azaspiro[4.5]decane-7-carboxylic acid, phenylMethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/528594-63-0.gif)