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[ CAS No. 2640-58-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2640-58-6
Chemical Structure| 2640-58-6
Structure of 2640-58-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 2640-58-6 ]

CAS No. :2640-58-6 MDL No. :MFCD00038200
Formula : C13H18N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :ZYGRWJVRLNJIMR-NSHDSACASA-N
M.W : 266.29 Pubchem ID :7010490
Synonyms :
Chemical Name :(S)-5-Amino-2-(((benzyloxy)carbonyl)amino)pentanoic acid

Calculated chemistry of [ 2640-58-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.38
Num. rotatable bonds : 9
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 69.2
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) : -8.95 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.91
Log Po/w (XLOGP3) : -1.44
Log Po/w (WLOGP) : 0.95
Log Po/w (MLOGP) : 0.89
Log Po/w (SILICOS-IT) : 0.74
Consensus Log Po/w : 0.61

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.22
Solubility : 159.0 mg/ml ; 0.598 mol/l
Class : Very soluble
Log S (Ali) : -0.19
Solubility : 171.0 mg/ml ; 0.643 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.82
Solubility : 0.401 mg/ml ; 0.00151 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.81

Safety of [ 2640-58-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2640-58-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 2640-58-6 ]
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