![CAS 268220-91-3 (S)-1-[(1R)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLDI-TERT-BUTYLPHOSPHINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/268220-91-3.gif)
CAS RN: 268220-91-3
(S)-1-[(1R)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLDI-TERT-BUTYLPHOSPHINE
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: starshine_CAS268220-91-3
- Purity/Analytical Methods: >99.0%
268220-91-3 / (S)-1-[(1R)-2-(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLDI-TERT-BUTYLPHOSPHINE
Basic Information
CAS
268220-91-3
Multi CAS
No
Molecular Formula
C24H36FeP2
Molecular Weight
442.300000
Exact Mass
442.164161
SMILES
CC[C@@H]1C[C@H](P1C2=CC=C[CH]2)CC.CC[C@@H]1C[C@H](P1C2=CC=C[CH]2)CC.[Fe]
InChI
InChI=1S/2C12H18P.Fe/c2*1-3-10-9-11(4-2)13(10)12-7-5-6-8-12;/h2*5-8,10-11H,3-4,9H2,1-2H3;/t2*10-,11-;/m11./s1
InChIKey
CASVFTKJBSCSOD-PHIZCRGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.58
Rotatable bonds
6
Molar refractivity
122.44
TPSA
0.0000
LogP / Solubility
WLOGP
8.17
MLOGP
7.22
XLogP3
8.17
Consensus LogP
7.85
Log S (ESOL)
-7.33
Class (ESOL)
Insoluble
Log S (Ali)
-9.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.04
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)
0.38
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
5
Customers Also Viewed
-
CYCLO(-ALA-GLN)
- CAS RN: 268221-76-7
- Product Code: starshine_CAS268221-76-7
- Purity/Analytical method: >99.0%
-
(R)-1-(tert-butoxycarbonyl)-3,3-dimethyl-1,3-azasilolidine-5-carboxylic acid
- CAS RN: 268224-29-9
- Product Code: SSC-125117
-
Spiro[cyclohexane-1,3′-[3H]indole]-4-carboxylic acid, 1′,2′-dihydro-, Methyl ester
- CAS RN: 268538-23-4
- Product Code: SSC-125194
-
Boc-(R,S)-3-amino-3-(2-naphthyl)-proponic acid
- CAS RN: 268542-15-0
- Product Code: SSC-125195
-
(R)-FMOC-3-AMINO-ADIPIC ACID-1-TERT-BUTYL ESTER
- CAS RN: 268542-16-1
- Product Code: starshine_CAS268542-16-1
- Purity/Analytical method: >99.0%
-
![CAS 268538-23-4 Spiro[cyclohexane-1,3′-[3H]indole]-4-carboxylic acid, 1′,2′-dihydro-, Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/268538-23-4.gif)
![CAS 268547-52-0 5-METHYL-1H-PYRAZOLO[4,3-B]PYRIDIN-7-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/268547-52-0.gif)