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CAS 15278-97-4 CHLORO(TRIMETHYLPHOSPHINE)GOLD(I) molecular structure lightbox
CAS RN: 15278-97-4

CHLORO(TRIMETHYLPHOSPHINE)GOLD(I)

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  • Product code: starshine_CAS15278-97-4
  • Purity/Analytical Methods: >99.0%
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15278-97-4 / chlorogold;trimethylphosphane

Standard CAS: 15278-97-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15278-97-4
Multi CAS
No
Molecular Formula
C3H9AuClP
Molecular Weight
308.500000
Exact Mass
307.979610
SMILES
CP(C)C.Cl[Au]
InChI
InChI=1S/C3H9P.Au.ClH/c1-4(2)3;;/h1-3H3;;1H/q;+1;/p-1
InChIKey
BVRRHCPRDPAYFI-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Molar refractivity
30.54
TPSA
0.0000

LogP / Solubility

WLOGP
2.04
MLOGP
1.81
XLogP3
2.04
Consensus LogP
1.96
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

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

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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