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CAS 165461-74-5 TRIETHYLPHOSPHINE(6,6,7,7,8,8,8-HEPTAFLUORO-2,2-DIMETHYL-3,5-OCTANEDIONATE)SILVER(I) molecular structure lightbox
CAS RN: 165461-74-5

TRIETHYLPHOSPHINE(6,6,7,7,8,8,8-HEPTAFLUORO-2,2-DIMETHYL-3,5-OCTANEDIONATE)SILVER(I)

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250624 1g In stock Shanghai Inquiry
Batchno.20250502 250mg In stock Shanghai Inquiry
Batchno.20250418 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260404 5g Out of stock Inquiry
  • Product code: starshine_CAS165461-74-5
  • Purity/Analytical Methods: >99.0%
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165461-74-5 / (Z)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane

Standard CAS: 165461-74-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
165461-74-5
Multi CAS
No
Molecular Formula
C16H26AgF7O2P
Molecular Weight
522.210000
Exact Mass
521.060960
SMILES
CCP(CC)CC.CC(C)(C)C(=O)/C=C(/C(C(C(F)(F)F)(F)F)(F)F)\O.[Ag]
InChI
InChI=1S/C10H11F7O2.C6H15P.Ag/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;1-4-7(5-2)6-3;/h4,19H,1-3H3;4-6H2,1-3H3;/b6-4-;;
InChIKey
SKYWZMHJSXPSEI-XFUGJFOESA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.81
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
89.67
TPSA
37.3

LogP / Solubility

WLOGP
6.4
MLOGP
5.67
XLogP3
6.4
Consensus LogP
6.16
Log S (ESOL)
-6.71
Class (ESOL)
Insoluble
Log S (Ali)
-8.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.36

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 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): 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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