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[ CAS No. 260354-29-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 260354-29-8
Chemical Structure| 260354-29-8
Structure of 260354-29-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 260354-29-8 ]

CAS No. :260354-29-8 MDL No. :N/A
Formula : C24H27Cl3N12 Boiling Point : -
Linear Structure Formula :- InChI Key :FRNCVYHCFVSVMM-UHFFFAOYSA-N
M.W : 589.91 Pubchem ID :139270000
Synonyms :

Calculated chemistry of [ 260354-29-8 ]

Physicochemical Properties

Num. heavy atoms : 39
Num. arom. heavy atoms : 28
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 4.0
Num. H-bond donors : 8.0
Molar Refractivity : 170.22
TPSA : 259.72 Ų

Pharmacokinetics

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) : -8.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.22
Log Po/w (WLOGP) : 4.69
Log Po/w (MLOGP) : 0.49
Log Po/w (SILICOS-IT) : -0.01
Consensus Log Po/w : 1.48

Druglikeness

Lipinski : 3.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -5.43
Solubility : 0.00221 mg/ml ; 0.00000374 mol/l
Class : Moderately soluble
Log S (Ali) : -7.31
Solubility : 0.000029 mg/ml ; 0.0000000491 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -3.58
Solubility : 0.157 mg/ml ; 0.000266 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.18

Safety of [ 260354-29-8 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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