CAS RN: 854920-94-8
1,1Bis((2S,5S)-2,5-di-i-propylphospholano)ferrocene(cyclooctadiene)rhodium(I) tetrafluoroborate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251208 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS854920-94-8
- Purity/Analytical Methods: >99.0%
854920-94-8 / 1,1Bis((2S,5S)-2,5-di-i-propylphospholano)ferrocene(cyclooctadiene)rhodium(I) tetrafluoroborate
Basic Information
CAS
854920-94-8
Multi CAS
Yes
Molecular Formula
C38H60BF4FEP2RH
Molecular Weight
824.400000
Exact Mass
824.260370
InChI
InChI=1S/2C15H24P.C8H12.BF4.Fe.Rh/c2*1-11(2)14-9-10-15(12(3)4)16(14)13-7-5-6-8-13;1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*5-8,11-12,14-15H,9-10H2,1-4H3;1-2,7-8H,3-6H2;;;/q;;;-1;;/b;;2-1-,8-7-;;;/t2*14-,15-;;;;/m00..../s1
InChIKey
UKUJMTBLXJURSB-GXBDDWAESA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Fraction Csp3
0.63
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
194.63
TPSA
0.0000
LogP / Solubility
WLOGP
13.32
MLOGP
11.79
XLogP3
13.32
Consensus LogP
12.81
Log S (ESOL)
-12.94
Class (ESOL)
Insoluble
Log S (Ali)
-15.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.79
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)
1.71
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
7
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