16467-50-8 2-Chloro-N-(cyclohexylcarbamoyl)acetamide

Introduction

CAS No. :	16467-50-8	MDL No. :	MFCD03976170
Formula :	C9H15ClN2O2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	AJYLCYFEYRUYOG-UHFFFAOYSA-N
M.W :	218.68	Pubchem ID :	2424051
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.78
Num. rotatable bonds :	5
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	54.45
TPSA :	58.2 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.12 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.66
Log Po/w (XLOGP3) :	2.13
Log Po/w (WLOGP) :	1.38
Log Po/w (MLOGP) :	1.16
Log Po/w (SILICOS-IT) :	1.11
Consensus Log Po/w :	1.29

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.21
Solubility :	1.36 mg/ml ; 0.0062 mol/l
Class :	Soluble
Log S (Ali) :	-2.98
Solubility :	0.227 mg/ml ; 0.00104 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.35
Solubility :	0.986 mg/ml ; 0.00451 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.06

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
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