![CAS 498580-48-6 (R)-(-)-ALPHA-[(S)-2-(DIPHENYLPHOSPHINO)FERROCENYL]BENZYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/498580-48-6.gif)
CAS RN: 498580-48-6
(R)-(-)-ALPHA-[(S)-2-(DIPHENYLPHOSPHINO)FERROCENYL]BENZYLAMINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250220 | 250mg | Out of stock | Inquiry |
- Product code: starshine_CAS498580-48-6
- Purity/Analytical Methods: >99.0%
498580-48-6 / (R)-(-)-ALPHA-[(S)-2-(DIPHENYLPHOSPHINO)FERROCENYL]BENZYLAMINE
Basic Information
CAS
498580-48-6
Multi CAS
Yes
Molecular Formula
C29H26FENP
Molecular Weight
475.300000
Exact Mass
475.115222
InChI
InChI=1S/C24H21NP.C5H5.Fe/c25-24(19-11-4-1-5-12-19)22-17-10-18-23(22)26(20-13-6-2-7-14-20)21-15-8-3-9-16-21;1-2-4-5-3-1;/h1-18,24H,25H2;1-5H;/t24-;;/m1../s1
InChIKey
MFDHVPUOEKPVJH-PPLJNSMQSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.03
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
135.49
TPSA
26.02
LogP / Solubility
WLOGP
6.16
MLOGP
5.46
XLogP3
6.16
Consensus LogP
5.93
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.46
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.24
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
4
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