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[ CAS No. 15629-92-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 15629-92-2
Chemical Structure| 15629-92-2
Structure of 15629-92-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 15629-92-2 ]

CAS No. :15629-92-2 MDL No. :MFCD00015318
Formula : C27H26Cl2NiP2 Boiling Point : -
Linear Structure Formula :- InChI Key :ZBQUMMFUJLOTQC-UHFFFAOYSA-L
M.W : 542.04 Pubchem ID :2724937
Synonyms :

Calculated chemistry of [ 15629-92-2 ]

Physicochemical Properties

Num. heavy atoms : 32
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.11
Num. rotatable bonds : 8
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 144.27
TPSA : 27.18 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.05 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 7.83
Log Po/w (WLOGP) : -0.35
Log Po/w (MLOGP) : 7.28
Log Po/w (SILICOS-IT) : 8.54
Consensus Log Po/w : 4.66

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -8.16
Solubility : 0.00000375 mg/ml ; 0.0000000069 mol/l
Class : Poorly soluble
Log S (Ali) : -8.25
Solubility : 0.00000307 mg/ml ; 0.0000000057 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -11.29
Solubility : 0.0000000028 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.7

Safety of [ 15629-92-2 ]

Signal Word:Danger Class:9
Precautionary Statements:P501-P273-P260-P270-P264-P280-P391-P314-P337+P313-P305+P351+P338-P301+P312+P330 UN#:3077
Hazard Statements:H302-H319-H372-H410 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 15629-92-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 15629-92-2 ]
  • Downstream synthetic route of [ 15629-92-2 ]

[ 15629-92-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 1003-09-4 ]
  • [ 825-55-8 ]
  • [ 108-86-1 ]
  • [ 15629-92-2 ]
  • [ 29488-24-2 ]
Reference: [1] Patent: US6355365, 2002, B1,
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