![CAS 821009-34-1 (R)-(+)-1-[(R)-2-(2′-Dicyclohexylphosphinophenyl)ferrocenyl]ethylbis(3,5-trifluoromethylphenyl)phosphine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/821009-34-1.gif)
CAS RN: 821009-34-1
(R)-(+)-1-[(R)-2-(2′-Dicyclohexylphosphinophenyl)ferrocenyl]ethylbis(3,5-trifluoromethylphenyl)phosphine
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.20250309 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS821009-34-1
- Purity/Analytical Methods: >99.0%
821009-34-1 / bis[3,5-bis(trifluoromethyl)phenyl]-[(1R)-1-[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]ethyl]phosphane;cyclopentane;iron
Basic Information
CAS
821009-34-1
Multi CAS
Yes
Molecular Formula
C46H54F12FEP2
Molecular Weight
952.700000
Exact Mass
952.285849
InChI
InChI=1S/C41H44F12P2.C5H10.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;/h8-9,15,18-25,30-31,34-35H,2-7,10-14,16-17H2,1H3;1-5H2;/t25-,34?,35?;;/m1../s1
InChIKey
SNRUKJLXYKUZDU-KNTBZWNRSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
18
Fraction Csp3
0.61
Rotatable bonds
8
H-bond acceptors
12
Molar refractivity
218.45
TPSA
0.0000
LogP / Solubility
WLOGP
15.89
MLOGP
14.07
XLogP3
15.89
Consensus LogP
15.28
Log S (ESOL)
-15.45
Class (ESOL)
Insoluble
Log S (Ali)
-18.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20
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)
2.75
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
7.5
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