![CAS 791629-96-4 CHLORODIHYDRIDO[BIS(2-DI-I-PROPYLPHOSPHINOETHYL)AMINE]IRIDIUM (III) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/791629-96-4.gif)
CAS RN: 791629-96-4
CHLORODIHYDRIDO[BIS(2-DI-I-PROPYLPHOSPHINOETHYL)AMINE]IRIDIUM (III)
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS791629-96-4
- Purity/Analytical Methods: >99.0%
791629-96-4 / chloro(dihydrido)iridium;2-di(propan-2-yl)phosphanyl-N-[2-di(propan-2-yl)phosphanylethyl]ethanamine
Basic Information
CAS
791629-96-4
Multi CAS
Yes
Molecular Formula
C17H39LiP2Rn
Molecular Weight
535.100000
Exact Mass
535.187550
InChI
InChI=1S/C16H37NP2.ClH.Ir.2H/c1-13(2)18(14(3)4)11-9-17-10-12-19(15(5)6)16(7)8;;;;/h13-17H,9-12H2,1-8H3;1H;;;/q;;+1;;/p-1
InChIKey
QPAONQONOKDMMJ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
105.63
TPSA
12.03
LogP / Solubility
WLOGP
5.33
MLOGP
4.73
XLogP3
5.33
Consensus LogP
5.13
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- CAS RN: 791777-96-3
- Product Code: SSC-188406
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![CAS 791777-96-3 3-ETHYL-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/791777-96-3.gif)
