CAS RN: 14243-62-0

Chloro(triphenylphosphite)gold

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  • Product code: starshine_CAS14243-62-0
  • Purity/Analytical Methods: >99.0%
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14243-62-0 / chlorogold;triphenyl phosphite

Standard CAS: 14243-62-0 Multi CAS: No

Basic Information

CAS
14243-62-0
Multi CAS
No
Molecular Formula
C18H15AuClO3P
Molecular Weight
542.700000
Exact Mass
542.011304
SMILES
C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.Cl[Au]
InChI
InChI=1S/C18H15O3P.Au.ClH/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;;/h1-15H;;1H/q;+1;/p-1
InChIKey
DADNGSZZNVQSMJ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
93.98
TPSA
27.69

LogP / Solubility

WLOGP
6.14
MLOGP
5.44
XLogP3
6.14
Consensus LogP
5.91
Log S (ESOL)
-7.23
Class (ESOL)
Insoluble
Log S (Ali)
-8.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9
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)
-1.67

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
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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