5,10,15,20-Tetraphenylporphyrin

Introduction

CAS No. :	917-23-7	MDL No. :	MFCD00011680
Formula :	C44H30N4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YNHJECZULSZAQK-UHFFFAOYSA-N
M.W :	614.74	Pubchem ID :	86280046
Synonyms :	TPP;Tetraphenylporphine;meso-Tetraphenylporphyrin	Chemical Name :	5,10,15,20-Tetraphenylporphyrin

Physicochemical Properties

Num. heavy atoms :	48
Num. arom. heavy atoms :	34
Fraction Csp3 :	0.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	203.47
TPSA :	56.3 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-2.66 cm/s

Lipophilicity

Log Po/w (iLOGP) :	5.53
Log Po/w (XLOGP3) :	10.41
Log Po/w (WLOGP) :	7.23
Log Po/w (MLOGP) :	4.98
Log Po/w (SILICOS-IT) :	10.13
Consensus Log Po/w :	7.66

Druglikeness

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

Water Solubility

Log S (ESOL) :	-10.47
Solubility :	0.0000000208 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (Ali) :	-11.54
Solubility :	0.0000000018 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (SILICOS-IT) :	-15.45
Solubility :	0.0 mg/ml ; 3.56e-16 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	7.47

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

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