Tetrakis(4-bromophenyl)methane

Introduction

CAS No. :	105309-59-9	MDL No. :	MFCD19688472
Formula :	C25H16Br4	Boiling Point :	-
Linear Structure Formula :	(BrC6H4)4C	InChI Key :	YBGIIZGNEOJSRF-UHFFFAOYSA-N
M.W :	636.01	Pubchem ID :	11250692
Synonyms :

Physicochemical Properties

Num. heavy atoms :	29
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.04
Num. rotatable bonds :	4
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	135.55
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.27 cm/s

Lipophilicity

Log Po/w (iLOGP) :	5.09
Log Po/w (XLOGP3) :	9.73
Log Po/w (WLOGP) :	9.12
Log Po/w (MLOGP) :	8.74
Log Po/w (SILICOS-IT) :	9.11
Consensus Log Po/w :	8.36

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	3.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-10.26
Solubility :	0.0000000348 mg/ml ; 0.0000000001 mol/l
Class :	Insoluble
Log S (Ali) :	-9.65
Solubility :	0.000000143 mg/ml ; 0.0000000002 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-13.05
Solubility :	0.0000000001 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.73

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319	Packing Group:	N/A
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine