CAS RN: 1092372-90-1

DICHLOROBIS[2-(DI-I-PROPYLPHOSPHINO)ETHYLAMINE]RUTHENIUM (II), MIN

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  • Product code: starshine_CAS1092372-90-1
  • Purity/Analytical Methods: >99.0%
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1092372-90-1 / dichlororuthenium;bis(2-di(propan-2-yl)phosphanylethanamine)

DICHLOROBIS[2-(DI-I-PROPYLPHOSPHINO)ETHYLAMINE]RUTHENIUM(II) | Dichlorobis(2-(diisopropylphosphino)-ethylamine)ruthenium(II) | Dichlorobis[2-(di-i-propylphosphino)ethylamine]ruthenium (II)

Standard CAS: 1092372-90-1 Multi CAS: Yes

Basic Information

CAS
1092372-90-1
Multi CAS
Yes
Molecular Formula
C16H40Cl2N2P2Ru
Molecular Weight
494.400000
Exact Mass
494.108719
SMILES
CC(C)P(CCN)C(C)C.CC(C)P(CCN)C(C)C.Cl[Ru]Cl
InChI
InChI=1S/2C8H20NP.2ClH.Ru/c2*1-7(2)10(6-5-9)8(3)4;;;/h2*7-8H,5-6,9H2,1-4H3;2*1H;/q;;;;+2/p-2
InChIKey
HINVYXXIKGEKJI-UHFFFAOYSA-L
Synonyms
DICHLOROBIS[2-(DI-I-PROPYLPHOSPHINO)ETHYLAMINE]RUTHENIUM(II) Dichlorobis(2-(diisopropylphosphino)-ethylamine)ruthenium(II) Dichlorobis[2-(di-i-propylphosphino)ethylamine]ruthenium (II) MFCD07782005 SCHEMBL1767630

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
113.93
TPSA
52.04

LogP / Solubility

WLOGP
5.86
MLOGP
5.2
XLogP3
5.86
Consensus LogP
5.64
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-7.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.7
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)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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