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[ CAS No. 27025-25-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 27025-25-8
Chemical Structure| 27025-25-8
Structure of 27025-25-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 27025-25-8 ]

CAS No. :27025-25-8 MDL No. :MFCD00235872
Formula : C7H14ClNO4 Boiling Point : -
Linear Structure Formula :- InChI Key :MFUPLHQOVIUESQ-NUBCRITNSA-N
M.W : 211.64 Pubchem ID :12917567
Synonyms :
Glutamic acid, dimethyl ester, hydrochloride, D-;Dimethyl D-glutamate hydrochloride
Chemical Name :H-D-Glu(OMe)-OMe.HCl

Calculated chemistry of [ 27025-25-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.71
Num. rotatable bonds : 6
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 48.01
TPSA : 78.62 ?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) : -7.43 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.22
Log Po/w (WLOGP) : 0.24
Log Po/w (MLOGP) : 0.1
Log Po/w (SILICOS-IT) : -0.15
Consensus Log Po/w : 0.08

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.89
Solubility : 27.0 mg/ml ; 0.127 mol/l
Class : Very soluble
Log S (Ali) : -1.43
Solubility : 7.85 mg/ml ; 0.0371 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.53
Solubility : 62.6 mg/ml ; 0.296 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.23

Safety of [ 27025-25-8 ]

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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