![CAS 494227-30-4 (R)-1-[(R)-2-[2-[BIS(4-METHOXY-3,5-DIMETHYLPHENYL)PHOSPHINO]PHENYL]FERROCENYL]-ETHYLBIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/494227-30-4.gif)
CAS RN: 494227-30-4
(R)-1-[(R)-2-[2-[BIS(4-METHOXY-3,5-DIMETHYLPHENYL)PHOSPHINO]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.20250309 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS494227-30-4
- Purity/Analytical Methods: >99.0%
494227-30-4 / (R)-1-[(R)-2-[2-[BIS(4-METHOXY-3,5-DIMETHYLPHENYL)PHOSPHINO]PHENYL]FERROCENYL]-ETHYLBIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE
Basic Information
CAS
494227-30-4
Multi CAS
Yes
Molecular Formula
C52H44F12FEO2P2
Molecular Weight
1046.700000
Exact Mass
1046.197428
InChI
InChI=1S/C47H39F12O2P2.C5H5.Fe/c1-25-15-34(16-26(2)42(25)60-6)63(35-17-27(3)43(61-7)28(4)18-35)41-14-9-8-11-40(41)39-13-10-12-38(39)29(5)62(36-21-30(44(48,49)50)19-31(22-36)45(51,52)53)37-23-32(46(54,55)56)20-33(24-37)47(57,58)59;1-2-4-5-3-1;/h8-24,29H,1-7H3;1-5H;/t29-;;/m0../s1
InChIKey
LYSMTOMQQHQCKG-UJXPALLWSA-N
Computed Properties
Structural Parameters
Heavy atom count
69
Aromatic heavy atom count
30
Fraction Csp3
0.23
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
245.73
TPSA
18.46
LogP / Solubility
WLOGP
13.43
MLOGP
11.92
XLogP3
13.43
Consensus LogP
12.93
Log S (ESOL)
-14.46
Class (ESOL)
Insoluble
Log S (Ali)
-17.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.81
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)
0.43
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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