![CAS 876608-69-4 (aR,aR)-2,2′-Bis(a-N,N-diMethylaMinophenylMethyl)-(S,S)-1,1′-bis[di-(3,5-diMethyl-4-Methoxyphenyl)-phosphino]-ferrocene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/876608-69-4.gif)
CAS RN: 876608-69-4
(aR,aR)-2,2′-Bis(a-N,N-diMethylaMinophenylMethyl)-(S,S)-1,1′-bis[di-(3,5-diMethyl-4-Methoxyphenyl)-phosphino]-ferrocene
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250404 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250207 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250606 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250831 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250622 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS876608-69-4
- Purity/Analytical Methods: >99.0%
876608-69-4 / (aR,aR)-2,2′-Bis(a-N,N-diMethylaMinophenylMethyl)-(S,S)-1,1′-bis[di-(3,5-diMethyl-4-Methoxyphenyl)-phosphino]-ferrocene
Basic Information
CAS
876608-69-4
Multi CAS
Yes
Molecular Formula
C64H72FEN2O4P2
Molecular Weight
1051.100000
Exact Mass
1050.431668
InChI
InChI=1S/2C32H42NO2P.Fe/c2*1-21-17-26(18-22(2)31(21)34-7)36(27-19-23(3)32(35-8)24(4)20-27)29-16-12-15-28(29)30(33(5)6)25-13-10-9-11-14-25;/h2*9-11,13-14,17-20,28-30H,12,15-16H2,1-8H3;/t2*28?,29?,30-;/m11./s1
InChIKey
JLZZZSGLLNEMEF-DFDXBSHASA-N
Computed Properties
Structural Parameters
Heavy atom count
73
Aromatic heavy atom count
24
Fraction Csp3
0.28
Rotatable bonds
16
H-bond acceptors
6
Molar refractivity
308.2
TPSA
43.4
LogP / Solubility
WLOGP
12.37
MLOGP
10.98
XLogP3
12.37
Consensus LogP
11.91
Log S (ESOL)
-13.33
Class (ESOL)
Insoluble
Log S (Ali)
-17.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.68
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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