![CAS 494227-32-6 (R)-1-[(R)-2-[2-(DICYCLOHEXYLPHOSPHINO)PHENYL]FERROCENYL]ETHYLBIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/494227-32-6.gif)
CAS RN: 494227-32-6
(R)-1-[(R)-2-[2-(DICYCLOHEXYLPHOSPHINO)PHENYL]FERROCENYL]ETHYLBIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250120 | 10g | Out of stock | Inquiry |
- Product code: starshine_CAS494227-32-6
- Purity/Analytical Methods: >99.0%
494227-32-6 / (R)-1-[(R)-2-[2-(DICYCLOHEXYLPHOSPHINO)PHENYL]FERROCENYL]ETHYLBIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE
Basic Information
CAS
494227-32-6
Multi CAS
Yes
Molecular Formula
C46H44F12FEP2
Molecular Weight
942.600000
Exact Mass
942.207599
InChI
InChI=1S/C41H39F12P2.C5H5.Fe/c1-25(34-16-10-17-35(34)36-15-8-9-18-37(36)55(30-11-4-2-5-12-30)31-13-6-3-7-14-31)54(32-21-26(38(42,43)44)19-27(22-32)39(45,46)47)33-23-28(40(48,49)50)20-29(24-33)41(51,52)53;1-2-4-5-3-1;/h8-10,15-25,30-31H,2-7,11-14H2,1H3;1-5H;/t25-;;/m0../s1
InChIKey
XSNPQORPLUHYID-WLOLSGMKSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
18
Fraction Csp3
0.39
Rotatable bonds
8
H-bond acceptors
12
Molar refractivity
215.27
TPSA
0.0000
LogP / Solubility
WLOGP
14.2
MLOGP
12.58
XLogP3
14.2
Consensus LogP
13.66
Log S (ESOL)
-14.32
Class (ESOL)
Insoluble
Log S (Ali)
-17.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.53
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)
1.61
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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