(9H-Fluoren-9-yl)methyl hydrazinecarboxylate

Introduction

CAS No. :	35661-51-9	MDL No. :	MFCD00239419
Formula :	C15H14N2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YGCGPEUVGHDMLO-UHFFFAOYSA-N
M.W :	254.28	Pubchem ID :	161883
Synonyms :		Chemical Name :	(9H-Fluoren-9-yl)methyl hydrazinecarboxylate

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.13
Num. rotatable bonds :	4
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	71.69
TPSA :	64.35 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.04 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.19
Log Po/w (XLOGP3) :	2.55
Log Po/w (WLOGP) :	2.4
Log Po/w (MLOGP) :	2.5
Log Po/w (SILICOS-IT) :	1.77
Consensus Log Po/w :	2.28

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.23
Solubility :	0.151 mg/ml ; 0.000594 mol/l
Class :	Soluble
Log S (Ali) :	-3.55
Solubility :	0.0719 mg/ml ; 0.000283 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.75
Solubility :	0.00455 mg/ml ; 0.0000179 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.13

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:

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