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41575-94-4 cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II)

41575-94-4 cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II)

CAS No. :41575-94-4MDL No. :MFCD00070464Formula :C6H12N2O4PtBoiling Point :-Linear Structure Formula :[Pt(NH3)2((OCO)2C4

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CAS No. :41575-94-4 Brand :Qitai
Formula :C6H12N2O4Pt M.W :371.25

Introduction

CAS No. :41575-94-4 MDL No. :MFCD00070464
Formula : C6H12N2O4Pt Boiling Point : -
Linear Structure Formula :[Pt(NH3)2((OCO)2C4H6)] InChI Key :VSRXQHXAPYXROS-UHFFFAOYSA-N
M.W : 371.25 Pubchem ID :426756
Synonyms :
NSC 241240;CBDCA;Abbreviation: CBDCA Code name: JM8;Ribocarbo;Platinwas;Paraplatine;Paraplatin AQ;Novoplatinum;Nealorin;Ercar;Displata;Carbotec;Carbosol;Carbosin;Carboplat;Foreign brand names: Blastocarb;Paraplatin;US brand names: Paraplat;Carboplatino;Carboplatin Hexal;NSC 201345;cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II);CDDCA;JM-8
Chemical Name :cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II)

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 0
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 38.49
TPSA : 59.08 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.9 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.47
Log Po/w (WLOGP) : 0.82
Log Po/w (MLOGP) : -1.79
Log Po/w (SILICOS-IT) : 1.03
Consensus Log Po/w : -0.08

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.85
Solubility : 5.3 mg/ml ; 0.0143 mol/l
Class : Very soluble
Log S (Ali) : -0.3
Solubility : 184.0 mg/ml ; 0.496 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.43
Solubility : 13.8 mg/ml ; 0.0372 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.1
Signal Word:Warning Class:
Precautionary Statements:P201-P202-P261-P264-P270-P271-P272-P280-P284-P301+P312+P330-P302+P352+P312-P304+P340+P312-P308+P313-P333+P313-P405-P501 UN#:
Hazard Statements:H302+H312+H332-H317-H361 Packing Group:
GHS Pictogram:

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