Home Cart 0 Sign in  
X

[ CAS No. 2381259-96-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 2381259-96-5
Chemical Structure| 2381259-96-5
Chemical Structure| 2381259-96-5
Structure of 2381259-96-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 2381259-96-5 ]

Related Doc. of [ 2381259-96-5 ]

Alternatived Products of [ 2381259-96-5 ]

Product Details of [ 2381259-96-5 ]

CAS No. :2381259-96-5 MDL No. :MFCD32174208
Formula : C8H18N2O3S Boiling Point : -
Linear Structure Formula :- InChI Key :CQWZDNQPWZGQGY-QMMMGPOBSA-N
M.W : 222.31 Pubchem ID :146012591
Synonyms :

Calculated chemistry of [ 2381259-96-5 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 62.2
TPSA : 69.23 Ų

Pharmacokinetics

GI absorption : High
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) : -8.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.71
Log Po/w (XLOGP3) : -0.93
Log Po/w (WLOGP) : -0.74
Log Po/w (MLOGP) : -1.1
Log Po/w (SILICOS-IT) : -0.92
Consensus Log Po/w : -0.4

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.43
Solubility : 81.8 mg/ml ; 0.368 mol/l
Class : Very soluble
Log S (Ali) : -0.04
Solubility : 203.0 mg/ml ; 0.912 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.25
Solubility : 126.0 mg/ml ; 0.565 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.8

Safety of [ 2381259-96-5 ]

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:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 2381259-96-5 ]

Alcohols

Chemical Structure| 72388-13-7

[ 72388-13-7 ]

2-(4-(Methylsulfonyl)piperazin-1-yl)ethanol

Similarity: 0.91

Sulfamides

Chemical Structure| 72388-13-7

[ 72388-13-7 ]

2-(4-(Methylsulfonyl)piperazin-1-yl)ethanol

Similarity: 0.91

Chemical Structure| 1018305-83-3

[ 1018305-83-3 ]

2-(4-(Methylsulfonyl)piperazin-1-yl)ethanamine

Similarity: 0.83

Chemical Structure| 59039-17-7

[ 59039-17-7 ]

1-(Methylsulfonyl)-4-methylpiperazine

Similarity: 0.83

Chemical Structure| 55276-43-2

[ 55276-43-2 ]

1-Methanesulfonylpiperazine

Similarity: 0.79

Chemical Structure| 161357-89-7

[ 161357-89-7 ]

1-(Methylsulfonyl)piperazine hydrochloride

Similarity: 0.77

Related Parent Nucleus of
[ 2381259-96-5 ]

Piperazines

Chemical Structure| 72388-13-7

[ 72388-13-7 ]

2-(4-(Methylsulfonyl)piperazin-1-yl)ethanol

Similarity: 0.91

Chemical Structure| 1018305-83-3

[ 1018305-83-3 ]

2-(4-(Methylsulfonyl)piperazin-1-yl)ethanamine

Similarity: 0.83

Chemical Structure| 59039-17-7

[ 59039-17-7 ]

1-(Methylsulfonyl)-4-methylpiperazine

Similarity: 0.83

Chemical Structure| 55276-43-2

[ 55276-43-2 ]

1-Methanesulfonylpiperazine

Similarity: 0.79

Chemical Structure| 161357-89-7

[ 161357-89-7 ]

1-(Methylsulfonyl)piperazine hydrochloride

Similarity: 0.77