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[ CAS No. 55674-67-4 ] {[proInfo.proName]}

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Chemical Structure| 55674-67-4
Chemical Structure| 55674-67-4
Structure of 55674-67-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 55674-67-4 ]

CAS No. :55674-67-4 MDL No. :MFCD00037807
Formula : C9H17NO5 Boiling Point : -
Linear Structure Formula :- InChI Key :LLHOYOCAAURYRL-NTSWFWBYSA-N
M.W : 219.24 Pubchem ID :6992541
Synonyms :

Calculated chemistry of [ 55674-67-4 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.78
Num. rotatable bonds : 6
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 52.82
TPSA : 95.86 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) : -7.42 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.45
Log Po/w (XLOGP3) : 0.31
Log Po/w (WLOGP) : 0.35
Log Po/w (MLOGP) : 0.01
Log Po/w (SILICOS-IT) : -0.46
Consensus Log Po/w : 0.33

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.0
Solubility : 22.0 mg/ml ; 0.1 mol/l
Class : Very soluble
Log S (Ali) : -1.89
Solubility : 2.85 mg/ml ; 0.013 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.12
Solubility : 166.0 mg/ml ; 0.755 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.01

Safety of [ 55674-67-4 ]

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:
Same Skeleton Products
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