![CAS 863971-62-4 Carbonylchlorohydrido[6-(di-t-butylphosphinomethyl)-2-(N,N-diethylaminomethyl)pyridine]ruthenium(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/863971-62-4.png)
CAS RN: 863971-62-4
Carbonylchlorohydrido[6-(di-t-butylphosphinomethyl)-2-(N,N-diethylaminomethyl)pyridine]ruthenium(II)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260211 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: LINC920167
863971-62-4 / carbon monoxide;chlororuthenium;N-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]-N-ethylethanamine
Basic Information
CAS
863971-62-4
Multi CAS
Yes
Molecular Formula
C20H35CLN2OPRU
Molecular Weight
487.000000
Exact Mass
487.121894
InChI
InChI=1S/C19H35N2P.CO.ClH.Ru/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8;1-2;;/h11-13H,9-10,14-15H2,1-8H3;;1H;/q;;;+1/p-1
InChIKey
ZGJCOIFATCBDOT-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
110.77
TPSA
36.03
LogP / Solubility
WLOGP
6.15
MLOGP
5.45
XLogP3
6.15
Consensus LogP
5.92
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.65
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.32
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
2.5
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