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CAS 33659-45-9 Chloro(triisopropylphosphine)gold molecular structure lightbox
CAS RN: 33659-45-9

Chloro(triisopropylphosphine)gold

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  • Product code: starshine_CAS33659-45-9
  • Purity/Analytical Methods: >99.0%
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33659-45-9 / chlorogold;tri(propan-2-yl)phosphane

Standard CAS: 33659-45-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
33659-45-9
Multi CAS
Yes
Molecular Formula
C9H21AUCLP
Molecular Weight
392.650000
Exact Mass
392.073510
InChI
InChI=1S/C9H21P.Au.ClH/c1-7(2)10(8(3)4)9(5)6;;/h7-9H,1-6H3;;1H/q;+1;/p-1
InChIKey
WDOKHBDXZVCPML-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
58.18
TPSA
0.0000

LogP / Solubility

WLOGP
4.38
MLOGP
3.88
XLogP3
4.38
Consensus LogP
4.21
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.21
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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