![CAS 1221746-56-0 (SP)-1-[(R)-1-(Di-tert-butylphosphino)ethyl]-2-[(R)-phenylphosphinoyl]ferrocene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221746-56-0.gif)
CAS RN: 1221746-56-0
(SP)-1-[(R)-1-(Di-tert-butylphosphino)ethyl]-2-[(R)-phenylphosphinoyl]ferrocene
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock2 grade groups
- Product code: starshine_CAS1221746-56-0
- Purity/Analytical Methods: >99.0%
1221746-56-0 / (Z)-tert-butyl-[2-[(1R)-1-ditert-butylphosphanylethyl]cyclopenta-2,4-dien-1-ylidene]-oxidophosphanium;cyclopenta-1,3-diene;iron(2+)
Basic Information
CAS
1221746-56-0
Multi CAS
No
Molecular Formula
C24H39FeOP2+
Molecular Weight
461.400000
Exact Mass
461.182550
SMILES
C[C@H](C\1=CC=C/C1=[P+](\C(C)(C)C)/[O-])P(C(C)(C)C)C(C)(C)C.[CH-]1C=CC=C1.[Fe+2]
InChI
InChI=1S/C19H34OP2.C5H5.Fe/c1-14(21(17(2,3)4)18(5,6)7)15-12-11-13-16(15)22(20)19(8,9)10;1-2-4-5-3-1;/h11-14H,1-10H3;1-5H;/q;-1;+2/t14-;;/m1../s1
InChIKey
RMJTVESITBPOLN-FMOMHUKBSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
126.83
TPSA
23.06
LogP / Solubility
WLOGP
7.08
MLOGP
6.26
XLogP3
7.08
Consensus LogP
6.81
Log S (ESOL)
-7.16
Class (ESOL)
Insoluble
Log S (Ali)
-8.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.78
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)
-0.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 1221746-66-2 (RP)-1-[(S)-1-(Di-tert-butylphosphino)ethyl]-2-[(S)-phenylphosphinoyl]ferrocene molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(RP)-1-[(S)-1-(Di-tert-butylphosphino)ethyl]-2-[(S)-phenylphosphinoyl]ferrocene
- CAS RN: 1221746-66-2
- Product Code: SSC-025160
-
-
8-Cyclohexyl-1-thia-4,8-diazaspiro[4.5]decane hydrochloride
- CAS RN: 1221791-74-7
- Product Code: starshine_CAS1221791-74-7
- Purity/Analytical method: >99.0%
-
8-Amino-6,7-diazaspiro[3.4]oct-7-en-5-one
- CAS RN: 1221791-84-9
- Product Code: starshine_CAS1221791-84-9
- Purity/Analytical method: >99.0%
-
8-bromoimidazo[1,2-a]pyridine-6-carbonitrile
- CAS RN: 1221791-93-0
- Product Code: starshine_CAS1221791-93-0
- Purity/Analytical method: >99.0%
-
3-Cyano-6-cyclopropyl-2-pyridinecarboxylic acid
- CAS RN: 1221791-98-5
- Product Code: starshine_CAS1221791-98-5
- Purity/Analytical method: >99.0%
![CAS 1221746-66-2 (RP)-1-[(S)-1-(Di-tert-butylphosphino)ethyl]-2-[(S)-phenylphosphinoyl]ferrocene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221746-66-2.gif)
![CAS 1221791-74-7 8-Cyclohexyl-1-thia-4,8-diazaspiro[4.5]decane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42557784.gif)
![CAS 1221791-84-9 8-Amino-6,7-diazaspiro[3.4]oct-7-en-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62556529.gif)
![CAS 1221791-93-0 8-bromoimidazo[1,2-a]pyridine-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221791-93-0.gif)
