![CAS 915299-24-0 [Tris(2,4-di-tert-butylphenyl)phosphite]gold chloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/915299-24-0.gif)
CAS RN: 915299-24-0
[Tris(2,4-di-tert-butylphenyl)phosphite]gold chloride
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS915299-24-0
- Purity/Analytical Methods: >99.0%
915299-24-0 / chlorogold;tris(2,4-ditert-butylphenyl) phosphite
Basic Information
CAS
915299-24-0
Multi CAS
Yes
Molecular Formula
C42H63AUCLO3P
Molecular Weight
879.300000
Exact Mass
878.386906
InChI
InChI=1S/C42H63O3P.Au.ClH/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18;;/h19-27H,1-18H3;;1H/q;+1;/p-1
InChIKey
GCWCLHMEYZKZRO-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
18
Fraction Csp3
0.57
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
206.18
TPSA
27.69
LogP / Solubility
WLOGP
13.92
MLOGP
12.33
XLogP3
13.92
Consensus LogP
13.39
Log S (ESOL)
-13.94
Class (ESOL)
Insoluble
Log S (Ali)
-16.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.65
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.8
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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