Ac-Cys(Trt)-OH

Introduction

CAS No. :	27486-87-9	MDL No. :	MFCD00236747
Formula :	C24H23NO3S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KCVPASSMLHHOIF-QFIPXVFZSA-N
M.W :	405.51	Pubchem ID :	7408363
Synonyms :

Physicochemical Properties

Num. heavy atoms :	29
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.17
Num. rotatable bonds :	9
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	116.66
TPSA :	91.7 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.59 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.56
Log Po/w (XLOGP3) :	4.49
Log Po/w (WLOGP) :	4.19
Log Po/w (MLOGP) :	3.83
Log Po/w (SILICOS-IT) :	4.53
Consensus Log Po/w :	3.92

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-5.05
Solubility :	0.00363 mg/ml ; 0.00000895 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.14
Solubility :	0.000296 mg/ml ; 0.000000731 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-7.72
Solubility :	0.00000769 mg/ml ; 0.000000019 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	3.82

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-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