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[ CAS No. 103478-63-3 ] {[proInfo.proName]}

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Chemical Structure| 103478-63-3
Chemical Structure| 103478-63-3
Structure of 103478-63-3 * Storage: {[proInfo.prStorage]}

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Product Details of [ 103478-63-3 ]

CAS No. :103478-63-3 MDL No. :MFCD00235877
Formula : C22H25NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :BUJQSIPFDWLNDC-HXUWFJFHSA-N
M.W : 367.44 Pubchem ID :7019520
Synonyms :
Chemical Name :(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-4-methylpentanoic acid

Calculated chemistry of [ 103478-63-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 27
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.36
Num. rotatable bonds : 8
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 104.49
TPSA : 66.84 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.3 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.67
Log Po/w (XLOGP3) : 4.56
Log Po/w (WLOGP) : 4.37
Log Po/w (MLOGP) : 3.22
Log Po/w (SILICOS-IT) : 3.51
Consensus Log Po/w : 3.67

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.79
Solubility : 0.00593 mg/ml ; 0.0000162 mol/l
Class : Moderately soluble
Log S (Ali) : -5.69
Solubility : 0.000756 mg/ml ; 0.00000206 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.37
Solubility : 0.00156 mg/ml ; 0.00000426 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 3.97

Safety of [ 103478-63-3 ]

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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