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[ CAS No. 323208-61-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 323208-61-3
Chemical Structure| 323208-61-3
Structure of 323208-61-3 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 323208-61-3 ]

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Product Details of [ 323208-61-3 ]

CAS No. :323208-61-3 MDL No. :N/A
Formula : C48H38N12O4 Boiling Point : -
Linear Structure Formula :- InChI Key :YSSRVYRNFYLZKY-UHFFFAOYSA-N
M.W : 846.89 Pubchem ID :16181614
Synonyms :

Calculated chemistry of [ 323208-61-3 ]

Physicochemical Properties

Num. heavy atoms : 64
Num. arom. heavy atoms : 34
Fraction Csp3 : 0.0
Num. rotatable bonds : 12
Num. H-bond acceptors : 10.0
Num. H-bond donors : 10.0
Molar Refractivity : 247.06
TPSA : 276.78 Ų

Pharmacokinetics

GI absorption : None
BBB permeant : None
P-gp substrate : None
CYP1A2 inhibitor : None
CYP2C19 inhibitor : None
CYP2C9 inhibitor : None
CYP2D6 inhibitor : None
CYP3A4 inhibitor : None
Log Kp (skin permeation) : None cm/s

Lipophilicity

Log Po/w (iLOGP) : None
Log Po/w (XLOGP3) : None
Log Po/w (WLOGP) : 1.65
Log Po/w (MLOGP) : None
Log Po/w (SILICOS-IT) : None
Consensus Log Po/w : None

Druglikeness

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

Water Solubility

Log S (ESOL) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (Ali) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (SILICOS-IT) : None
Solubility : None mg/ml ; None mol/l
Class : None

Medicinal Chemistry

PAINS : None alert
Brenk : None alert
Leadlikeness : None
Synthetic accessibility : None

Safety of [ 323208-61-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330 UN#:N/A
Hazard Statements:H302-H315-H319 Packing Group:N/A
GHS Pictogram:
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