CAS RN: 61758-77-8

Oxaliplatin impurity D

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250820 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS61758-77-8
  • Purity/Analytical Methods: >99.0%
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61758-77-8 / (2-azanidylcyclohexyl)azanide;oxalate;platinum(4+)

Standard CAS: 61758-77-8 Multi CAS: Yes

Basic Information

CAS
61758-77-8
Multi CAS
Yes
Molecular Formula
C8H12N2O4PT
Molecular Weight
395.280000
Exact Mass
395.044501
InChI
InChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+4/p-2
InChIKey
DWAFYCQODLXJNR-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.7
TPSA
127.86

LogP / Solubility

WLOGP
-1.11
MLOGP
-0.96
XLogP3
-1.11
Consensus LogP
-1.06
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
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)
-5.92

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
2.5

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