Home Cart 0 Sign in  
X

[ CAS No. 1056057-55-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1056057-55-6
Chemical Structure| 1056057-55-6
Chemical Structure| 1056057-55-6
Structure of 1056057-55-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1056057-55-6 ]

Related Doc. of [ 1056057-55-6 ]

Alternatived Products of [ 1056057-55-6 ]

Product Details of [ 1056057-55-6 ]

CAS No. :1056057-55-6 MDL No. :MFCD16653294
Formula : C10H18N2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :UCIUMZXITSLNPQ-UHFFFAOYSA-N
M.W : 214.26 Pubchem ID :8547296
Synonyms :

Calculated chemistry of [ 1056057-55-6 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 63.12
TPSA : 58.64 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) : -7.4 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.17
Log Po/w (XLOGP3) : 0.29
Log Po/w (WLOGP) : -1.0
Log Po/w (MLOGP) : -0.07
Log Po/w (SILICOS-IT) : 0.6
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) : -1.09
Solubility : 17.5 mg/ml ; 0.0818 mol/l
Class : Very soluble
Log S (Ali) : -1.08
Solubility : 17.7 mg/ml ; 0.0825 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.58
Solubility : 5.66 mg/ml ; 0.0264 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.97

Safety of [ 1056057-55-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Parent Nucleus of
[ 1056057-55-6 ]

Piperazines

Chemical Structure| 164784-87-6

[ 164784-87-6 ]

Ethyl 2-(2-oxopiperazin-1-yl)acetate

Similarity: 0.86

Chemical Structure| 112257-22-4

[ 112257-22-4 ]

tert-Butyl 2-(piperazin-1-yl)acetate

Similarity: 0.86

Chemical Structure| 827614-56-2

[ 827614-56-2 ]

tert-Butyl 2-(piperazin-1-yl)acetate dihydrochloride

Similarity: 0.84

Chemical Structure| 2408342-38-9

[ 2408342-38-9 ]

tert-Butyl 2-(piperazin-1-yl)acetate hydrochloride

Similarity: 0.84

Chemical Structure| 1039843-84-9

[ 1039843-84-9 ]

Methyl 2-(3-oxopiperazin-1-yl)acetate

Similarity: 0.84