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2,4-Di([1,1'-biphenyl]-4-yl)-6-chloro-1,3,5-triazine

2,4-Di([1,1'-biphenyl]-4-yl)-6-chloro-1,3,5-triazine

CAS No. :182918-13-4MDL No. :MFCD27979765Formula :C27H18ClN3Boiling Point :No data availableLinear Structure Formula :-I

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CAS No. :182918-13-4 Brand :Qitai
Formula :C27H18ClN3 M.W :419.91

Introduction

CAS No. :182918-13-4 MDL No. :MFCD27979765
Formula : C27H18ClN3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :FVQBRDRAILXTMJ-UHFFFAOYSA-N
M.W : 419.91 Pubchem ID :22476006
Synonyms :

Physicochemical Properties

Num. heavy atoms : 31
Num. arom. heavy atoms : 30
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 126.58
TPSA : 38.67 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.53 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.68
Log Po/w (XLOGP3) : 7.51
Log Po/w (WLOGP) : 7.19
Log Po/w (MLOGP) : 5.22
Log Po/w (SILICOS-IT) : 7.09
Consensus Log Po/w : 6.34

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -7.63
Solubility : 0.00000992 mg/ml ; 0.0000000236 mol/l
Class : Poorly soluble
Log S (Ali) : -8.16
Solubility : 0.00000293 mg/ml ; 0.000000007 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -11.87
Solubility : 0.0000000006 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.99
Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

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