N-Acetylcytidine

Introduction

CAS No. :	3768-18-1	MDL No. :	MFCD00006540
Formula :	C11H15N3O6	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NIDVTARKFBZMOT-PEBGCTIMSA-N
M.W :	285.25	Pubchem ID :	107461
Synonyms :	ac4C	Chemical Name :	N-Acetylcytidine

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.55
Num. rotatable bonds :	4
Num. H-bond acceptors :	7.0
Num. H-bond donors :	4.0
Molar Refractivity :	65.76
TPSA :	133.91 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-9.0 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.08
Log Po/w (XLOGP3) :	-1.35
Log Po/w (WLOGP) :	-2.7
Log Po/w (MLOGP) :	-2.56
Log Po/w (SILICOS-IT) :	-1.94
Consensus Log Po/w :	-1.69

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.72
Solubility :	54.8 mg/ml ; 0.192 mol/l
Class :	Very soluble
Log S (Ali) :	-0.96
Solubility :	31.1 mg/ml ; 0.109 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	0.28
Solubility :	537.0 mg/ml ; 1.88 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.95

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

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