![CAS 849925-19-5 (S)-1-{(S)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-FERROCENYL}ETHYLDICYCLOHEXYLPHOSPHINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849925-19-5.gif)
CAS RN: 849925-19-5
(S)-1-{(S)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-FERROCENYL}ETHYLDICYCLOHEXYLPHOSPHINE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS849925-19-5
- Purity/Analytical Methods: >99.0%
849925-19-5 / (S)-1-{(S)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-FERROCENYL}ETHYLDICYCLOHEXYLPHOSPHINE
Basic Information
CAS
849925-19-5
Multi CAS
Yes
Molecular Formula
C42H48FEP2
Molecular Weight
670.600000
Exact Mass
670.258061
InChI
InChI=1S/C37H43P2.C5H5.Fe/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33;1-2-4-5-3-1;/h4-5,10-16,21-31H,2-3,6-9,17-20H2,1H3;1-5H;/t29-;;/m0../s1
InChIKey
OBVCATYDMKRFLP-UJXPALLWSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
8
Molar refractivity
195.26
TPSA
0.0000
LogP / Solubility
WLOGP
10.12
MLOGP
8.96
XLogP3
10.12
Consensus LogP
9.73
Log S (ESOL)
-10.14
Class (ESOL)
Insoluble
Log S (Ali)
-12.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.38
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)
0.38
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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