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[ CAS No. 37247-10-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 37247-10-2
Chemical Structure| 37247-10-2
Structure of 37247-10-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 37247-10-2 ]

CAS No. :37247-10-2 MDL No. :MFCD00080716
Formula : C31H34Cl2N6S2 Boiling Point : -
Linear Structure Formula :- InChI Key :YOWZJZJLXUQHGF-UHFFFAOYSA-M
M.W : 625.68 Pubchem ID :16218618
Synonyms :

Calculated chemistry of [ 37247-10-2 ]

Physicochemical Properties

Num. heavy atoms : 41
Num. arom. heavy atoms : 28
Fraction Csp3 : 0.23
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 186.7
TPSA : 104.01 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.12 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 7.04
Log Po/w (WLOGP) : 1.52
Log Po/w (MLOGP) : 5.22
Log Po/w (SILICOS-IT) : 1.9
Consensus Log Po/w : 3.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -8.4
Solubility : 0.00000252 mg/ml ; 0.000000004 mol/l
Class : Poorly soluble
Log S (Ali) : -9.04
Solubility : 0.00000057 mg/ml ; 0.0000000009 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.28
Solubility : 0.00325 mg/ml ; 0.0000052 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.0

Safety of [ 37247-10-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P270-P301+P312+P330-P501 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:
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