Alternatived Products of [ 307002-71-7 ]
Product Details of [ 307002-71-7 ]
CAS No. : 307002-71-7
MDL No. : MFCD12828877
Formula :
C17 H22 N2 O3
Boiling Point :
-
Linear Structure Formula : -
InChI Key : -
M.W :
302.37
Pubchem ID : -
Synonyms :
Chemical Name : N-(4-Morpholinobutyl)benzofuran-2-carboxamide
Calculated chemistry of [ 307002-71-7 ]
Physicochemical Properties
Num. heavy atoms :
22
Num. arom. heavy atoms :
9
Fraction Csp3 :
0.47
Num. rotatable bonds :
7
Num. H-bond acceptors :
4.0
Num. H-bond donors :
1.0
Molar Refractivity :
88.64
TPSA :
54.71 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
Yes
P-gp substrate :
Yes
CYP1A2 inhibitor :
Yes
CYP2C19 inhibitor :
Yes
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
Yes
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-6.63 cm/s
Lipophilicity
Log Po/w (iLOGP) :
3.07
Log Po/w (XLOGP3) :
2.13
Log Po/w (WLOGP) :
1.89
Log Po/w (MLOGP) :
1.15
Log Po/w (SILICOS-IT) :
2.89
Consensus Log Po/w :
2.23
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-2.9
Solubility :
0.383 mg/ml ; 0.00127 mol/l
Class :
Soluble
Log S (Ali) :
-2.91
Solubility :
0.372 mg/ml ; 0.00123 mol/l
Class :
Soluble
Log S (SILICOS-IT) :
-5.08
Solubility :
0.00251 mg/ml ; 0.00000832 mol/l
Class :
Moderately soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
0.0
Synthetic accessibility :
2.71
Safety of [ 307002-71-7 ]
Signal Word: Warning
Class: N/A
Precautionary Statements: P280-P305+P351+P338
UN#: N/A
Hazard Statements: H302
Packing Group: N/A
GHS Pictogram: