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[ CAS No. 29816-01-1 ] {[proInfo.proName]}

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Chemical Structure| 29816-01-1
Chemical Structure| 29816-01-1
Structure of 29816-01-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 29816-01-1 ]

CAS No. :29816-01-1 MDL No. :MFCD00038193
Formula : C5H10N2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :VYAMLSCELQQRAE-UHFFFAOYSA-N
M.W : 146.14 Pubchem ID :93131
Synonyms :
Glycylsarcosine;Gly-Sar
Chemical Name :H-Gly-Sar-OH

Calculated chemistry of [ 29816-01-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 33.72
TPSA : 83.63 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) : -9.94 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.69
Log Po/w (XLOGP3) : -3.87
Log Po/w (WLOGP) : -1.51
Log Po/w (MLOGP) : -1.37
Log Po/w (SILICOS-IT) : -1.63
Consensus Log Po/w : -1.54

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.96
Solubility : 13200.0 mg/ml ; 90.4 mol/l
Class : Highly soluble
Log S (Ali) : 2.71
Solubility : 74700.0 mg/ml ; 511.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.65
Solubility : 645.0 mg/ml ; 4.42 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.26

Safety of [ 29816-01-1 ]

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:
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