1210-34-0 5-Hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulene

Introduction

CAS No. :	1210-34-0	MDL No. :	MFCD00003593
Formula :	C15H14O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	POAVRNPUPPJLKZ-UHFFFAOYSA-N
M.W :	210.27	Pubchem ID :	14588
Synonyms :	Dibenzo(b,f)cycloheptan-1-ol;1,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ol	Chemical Name :	5-Hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulene

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.2
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	64.87
TPSA :	20.23 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.43 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.32
Log Po/w (XLOGP3) :	3.03
Log Po/w (WLOGP) :	2.54
Log Po/w (MLOGP) :	3.2
Log Po/w (SILICOS-IT) :	3.55
Consensus Log Po/w :	2.93

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.61
Solubility :	0.0519 mg/ml ; 0.000247 mol/l
Class :	Soluble
Log S (Ali) :	-3.12
Solubility :	0.159 mg/ml ; 0.000758 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.95
Solubility :	0.00239 mg/ml ; 0.0000114 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.02

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-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