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CAS 15170-57-7 Bis(2,4-pentanedionato)platinum(II) molecular structure lightbox
CAS RN: 15170-57-7

Bis(2,4-pentanedionato)platinum(II)

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 100mg In stock Inquiry
Batchno.20250207 1g In stock Inquiry
Batchno.20250502 250mg In stock Inquiry
Batchno.20250818 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: ICTB3115
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15170-57-7 / bis((Z)-4-hydroxypent-3-en-2-one);platinum

Standard CAS: 15170-57-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
15170-57-7
Multi CAS
No
Molecular Formula
C10H16O4Pt
Molecular Weight
395.320000
Exact Mass
395.069653
SMILES
C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Pt]
InChI
InChI=1S/2C5H8O2.Pt/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/b2*4-3-;
InChIKey
VEJOYRPGKZZTJW-FDGPNNRMSA-N

Physical Properties

Physical Description
Light yellow crystals; Insoluble in water
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.13
TPSA
74.6

LogP / Solubility

WLOGP
2.07
MLOGP
1.85
XLogP3
2.07
Consensus LogP
2
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly 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)
-3.66

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (98.1%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (98.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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