2,7-Dibromo-9,9-dimethyl-9,10-dihydroacridine

Introduction

CAS No. :	1333316-35-0	MDL No. :	MFCD26402967
Formula :	C15H13Br2N	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OJDIPHRGWNTBOO-UHFFFAOYSA-N
M.W :	367.08	Pubchem ID :	67414167
Synonyms :

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.2
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	1.0
Molar Refractivity :	86.83
TPSA :	12.03 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.48 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.23
Log Po/w (XLOGP3) :	5.72
Log Po/w (WLOGP) :	5.21
Log Po/w (MLOGP) :	5.01
Log Po/w (SILICOS-IT) :	5.11
Consensus Log Po/w :	4.86

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-6.21
Solubility :	0.000225 mg/ml ; 0.000000613 mol/l
Class :	Poorly soluble
Log S (Ali) :	-5.74
Solubility :	0.000669 mg/ml ; 0.00000182 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-7.65
Solubility :	0.00000816 mg/ml ; 0.0000000222 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.68

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	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