![CAS 1453803-83-2 (R)-1-[Bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl] phosphino]-2-[(1R)-1-(dicyclohexylphosphino)ethyl]Ferrocene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1453803-83-2.gif)
CAS RN: 1453803-83-2
(R)-1-[Bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl] phosphino]-2-[(1R)-1-(dicyclohexylphosphino)ethyl]Ferrocene
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250409 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250321 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260217 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250301 | 50mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260428 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251116 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1453803-83-2
- Purity/Analytical Methods: >99.0%
1453803-83-2 / bis(3,5-ditert-butyl-4-methoxyphenyl)-[2-[(1R)-1-dicyclohexylphosphanylethyl]cyclopenten-1-yl]phosphane;carbanide;cyclopentene;iron(2+)
Basic Information
CAS
1453803-83-2
Multi CAS
No
Molecular Formula
C56H92FeO2P2
Molecular Weight
915.100000
Exact Mass
914.592192
SMILES
[CH3-].[CH3-].C[C@H](C1=C(CCC1)P(C2=CC(=C(C(=C2)C(C)(C)C)OC)C(C)(C)C)C3=CC(=C(C(=C3)C(C)(C)C)OC)C(C)(C)C)P(C4CCCCC4)C5CCCCC5.C1CC=CC1.[Fe+2]
InChI
InChI=1S/C49H78O2P2.C5H8.2CH3.Fe/c1-33(52(34-23-18-16-19-24-34)35-25-20-17-21-26-35)38-27-22-28-43(38)53(36-29-39(46(2,3)4)44(50-14)40(30-36)47(5,6)7)37-31-41(48(8,9)10)45(51-15)42(32-37)49(11,12)13;1-2-4-5-3-1;;;/h29-35H,16-28H2,1-15H3;1-2H,3-5H2;2*1H3;/q;;2*-1;+2/t33-;;;;/m1..../s1
InChIKey
GNMBHYVPBXYCAL-DRLCBRQYSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
12
Fraction Csp3
0.68
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
273.8
TPSA
18.46
LogP / Solubility
WLOGP
16.92
MLOGP
14.98
XLogP3
16.92
Consensus LogP
16.27
Log S (ESOL)
-15.73
Class (ESOL)
Insoluble
Log S (Ali)
-19.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.74
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)
3.71
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
6
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