![CAS 388079-58-1 (R)-1-[(R)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-FERROCENYL]ETHYLDIPHENYLPHOSPHINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/388079-58-1.gif)
CAS RN: 388079-58-1
(R)-1-[(R)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-FERROCENYL]ETHYLDIPHENYLPHOSPHINE
Product Availability
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2 package records0 with current stock2 grade groups
- Product code: starshine_CAS388079-58-1
- Purity/Analytical Methods: >99.0%
388079-58-1 / (R)-1-[(R)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-FERROCENYL]ETHYLDIPHENYLPHOSPHINE
Basic Information
CAS
388079-58-1
Multi CAS
Yes
Molecular Formula
C42H36FEP2
Molecular Weight
658.500000
Exact Mass
658.164161
InChI
InChI=1S/C37H31P2.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;/h2-29H,1H3;1-5H;/t29-;;/m0../s1
InChIKey
UOZGNUVEBIDUPV-UJXPALLWSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
30
Fraction Csp3
0.05
Rotatable bonds
8
Molar refractivity
193.67
TPSA
0.0000
LogP / Solubility
WLOGP
8.11
MLOGP
7.19
XLogP3
8.11
Consensus LogP
7.8
Log S (ESOL)
-9
Class (ESOL)
Insoluble
Log S (Ali)
-10.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.63
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)
-0.98
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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![CAS 388079-60-5 (R)-1-[(R)-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-FERROCENYL]ETHYLDICYCLOHEXYLPHOSPHINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/388079-60-5.gif)
