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CAS 146665-77-2 Eptaplatin molecular structure lightbox
CAS RN: 146665-77-2

Eptaplatin

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3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250118 10mg Out of stock Inquiry
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Batchno.20251001 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS146665-77-2
  • Purity/Analytical Methods: >99.0%
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146665-77-2 / [(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine;platinum(2+);propanedioate

Standard CAS: 146665-77-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146665-77-2
Multi CAS
No
Molecular Formula
C11H20N2O6Pt
Molecular Weight
471.370000
Exact Mass
471.096931
SMILES
CC(C)C1O[C@@H]([C@H](O1)CN)CN.C(C(=O)[O-])C(=O)[O-].[Pt+2]
InChI
InChI=1S/C8H18N2O2.C3H4O4.Pt/c1-5(2)8-11-6(3-9)7(4-10)12-8;4-2(5)1-3(6)7;/h5-8H,3-4,9-10H2,1-2H3;1H2,(H,4,5)(H,6,7);/q;;+2/p-2/t6-,7-;;/m1../s1
InChIKey
XJXKGUZINMNEDK-GPJOBVNKSA-L

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
61.11
TPSA
150.76

LogP / Solubility

WLOGP
-3.46
MLOGP
-3.01
XLogP3
-3.46
Consensus LogP
-3.31
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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