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[ CAS No. 172669-64-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 172669-64-6
Chemical Structure| 172669-64-6
Structure of 172669-64-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 172669-64-6 ]

CAS No. :172669-64-6 MDL No. :MFCD00150855
Formula : C7H15N3O5 Boiling Point : -
Linear Structure Formula :- InChI Key :KLFWVRQACSYLOH-WCCKRBBISA-N
M.W : 221.21 Pubchem ID :24820180
Synonyms :
Glycyl-L-Glutamine (hydrate);Gly-Gln;Glycylglutamine

Calculated chemistry of [ 172669-64-6 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.57
Num. rotatable bonds : 7
Num. H-bond acceptors : 6.0
Num. H-bond donors : 5.0
Molar Refractivity : 49.2
TPSA : 144.74 Ų

Pharmacokinetics

GI absorption : Low
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) : -11.24 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.55
Log Po/w (XLOGP3) : -5.06
Log Po/w (WLOGP) : -2.28
Log Po/w (MLOGP) : -2.73
Log Po/w (SILICOS-IT) : -1.74
Consensus Log Po/w : -2.47

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 2.44
Solubility : 60700.0 mg/ml ; 274.0 mol/l
Class : Highly soluble
Log S (Ali) : 2.66
Solubility : 101000.0 mg/ml ; 457.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.25
Solubility : 390.0 mg/ml ; 1.76 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.22

Safety of [ 172669-64-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
Same Skeleton Products
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