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[ CAS No. 34404-32-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 34404-32-5
Chemical Structure| 34404-32-5
Structure of 34404-32-5 * Storage: {[proInfo.prStorage]}

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Product Details of [ 34404-32-5 ]

CAS No. :34404-32-5 MDL No. :MFCD00063120
Formula : C14H20N2O4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :CKGCFBNYQJDIGS-GFCCVEGCSA-N
M.W : 280.32 Pubchem ID :1551330
Synonyms :
Chemical Name :H-D-Lys(Z)-OH

Calculated chemistry of [ 34404-32-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.43
Num. rotatable bonds : 10
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 74.01
TPSA : 101.65 ?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) : -8.78 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.64
Log Po/w (XLOGP3) : -1.08
Log Po/w (WLOGP) : 1.34
Log Po/w (MLOGP) : -1.06
Log Po/w (SILICOS-IT) : 1.14
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) : -0.46
Solubility : 97.3 mg/ml ; 0.347 mol/l
Class : Very soluble
Log S (Ali) : -0.57
Solubility : 76.3 mg/ml ; 0.272 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.22
Solubility : 0.168 mg/ml ; 0.000598 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.75

Safety of [ 34404-32-5 ]

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