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[ CAS No. 263403-72-1 ] {[proInfo.proName]}

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Chemical Structure| 263403-72-1
Chemical Structure| 263403-72-1
Structure of 263403-72-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 263403-72-1 ]

CAS No. :263403-72-1 MDL No. :MFCD24468429
Formula : C17H26N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :NZJDCDLBHCNBMR-UHFFFAOYSA-N
M.W : 322.40 Pubchem ID :57659162
Synonyms :

Calculated chemistry of [ 263403-72-1 ]

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.53
Num. rotatable bonds : 9
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 90.2
TPSA : 76.66 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.14 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.24
Log Po/w (XLOGP3) : 2.99
Log Po/w (WLOGP) : 3.72
Log Po/w (MLOGP) : 2.57
Log Po/w (SILICOS-IT) : 2.22
Consensus Log Po/w : 2.95

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.32
Solubility : 0.154 mg/ml ; 0.000477 mol/l
Class : Soluble
Log S (Ali) : -4.26
Solubility : 0.0176 mg/ml ; 0.0000545 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.68
Solubility : 0.0067 mg/ml ; 0.0000208 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.8

Safety of [ 263403-72-1 ]

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