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CAS 12277-88-2 Diphenyl(1,5-cyclooctadiene) platinum(II) molecular structure lightbox
CAS RN: 12277-88-2

Diphenyl(1,5-cyclooctadiene) platinum(II)

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250429 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250313 1g In stock Shanghai Inquiry
Batchno.20260623 250mg In stock Shanghai Inquiry
Batchno.20260402 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS12277-88-2
  • Purity/Analytical Methods: >99.0%
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12277-88-2 / benzene;(1Z,5Z)-cycloocta-1,5-diene;platinum(2+)

Standard CAS: 12277-88-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
12277-88-2
Multi CAS
No
Molecular Formula
C20H22Pt
Molecular Weight
457.500000
Exact Mass
457.136945
SMILES
C1/C=C\CC/C=C\C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Pt+2]
InChI
InChI=1S/C8H12.2C6H5.Pt/c1-2-4-6-8-7-5-3-1;2*1-2-4-6-5-3-1;/h1-2,7-8H,3-6H2;2*1-5H;/q;2*-1;+2/b2-1-,8-7-;;;
InChIKey
GGVUMOXWZYBTLY-PHFPKPIQSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
87.3
TPSA
0.0000

LogP / Solubility

WLOGP
5.64
MLOGP
5
XLogP3
5.64
Consensus LogP
5.43
Log S (ESOL)
-6.65
Class (ESOL)
Insoluble
Log S (Ali)
-7.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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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