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CAS 1271-07-4 (TRIMETHYL)CYCLOPENTADIENYLPLATINUM (IV) molecular structure lightbox
CAS RN: 1271-07-4

(TRIMETHYL)CYCLOPENTADIENYLPLATINUM (IV)

  • Product code: SSC-034615
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥99%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1271-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥99% 0 Out of Stock Beijing Inquiry

1271-07-4 / carbanide;cyclopenta-1,3-diene;platinum(4+)

Standard CAS: 1271-07-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1271-07-4
Multi CAS
No
Molecular Formula
C8H14Pt
Molecular Weight
305.280000
Exact Mass
305.074345
SMILES
[CH3-].[CH3-].[CH3-].[CH-]1C=CC=C1.[Pt+4]
InChI
InChI=1S/C5H5.3CH3.Pt/c1-2-4-5-3-1;;;;/h1-5H;3*1H3;/q4*-1;+4
InChIKey
KQNGEZAUPWGBOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
H-bond acceptors
4
Molar refractivity
41.28
TPSA
0.0000

LogP / Solubility

WLOGP
2.75
MLOGP
2.44
XLogP3
2.75
Consensus LogP
2.65
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.93
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)
-2.63

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

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