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[ CAS No. 59378-75-5 ] {[proInfo.proName]}

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Chemical Structure| 59378-75-5
Chemical Structure| 59378-75-5
Structure of 59378-75-5 * Storage: {[proInfo.prStorage]}

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Product Details of [ 59378-75-5 ]

CAS No. :59378-75-5 MDL No. :MFCD02179181
Formula : C10H17NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 215.25 Pubchem ID :-
Synonyms :
Chemical Name :1-(tert-Butoxycarbonyl)pyrrolidine-3-carboxylic acid

Calculated chemistry of [ 59378-75-5 ]      Expand+

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 : 58.36
TPSA : 66.84 ?2

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) : -7.07 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.05
Log Po/w (XLOGP3) : 0.77
Log Po/w (WLOGP) : 0.95
Log Po/w (MLOGP) : 0.74
Log Po/w (SILICOS-IT) : 0.22
Consensus Log Po/w : 0.95

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.4
Solubility : 8.66 mg/ml ; 0.0402 mol/l
Class : Very soluble
Log S (Ali) : -1.75
Solubility : 3.79 mg/ml ; 0.0176 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.38
Solubility : 90.6 mg/ml ; 0.421 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.71

Safety of [ 59378-75-5 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
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