Alternatived Products of [ 148332-36-9 ]
Product Details of [ 148332-36-9 ]
CAS No. : 148332-36-9
MDL No. : MFCD04114290
Formula :
C16 H11 N3 O2
Boiling Point :
No data available
Linear Structure Formula : HO2 CC5 H2 N(C5 H4 N)2
InChI Key : ZYTWXMBGOUJDHJ-UHFFFAOYSA-N
M.W :
277.28
Pubchem ID : 2762749
Synonyms :
Calculated chemistry of [ 148332-36-9 ] Expand+
Physicochemical Properties
Num. heavy atoms :
21
Num. arom. heavy atoms :
18
Fraction Csp3 :
0.0
Num. rotatable bonds :
3
Num. H-bond acceptors :
5.0
Num. H-bond donors :
1.0
Molar Refractivity :
77.66
TPSA :
75.97 ?2
Pharmacokinetics
GI absorption :
High
BBB permeant :
Yes
P-gp substrate :
No
CYP1A2 inhibitor :
Yes
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
Yes
CYP3A4 inhibitor :
Yes
Log Kp (skin permeation) :
-6.93 cm/s
Lipophilicity
Log Po/w (iLOGP) :
2.19
Log Po/w (XLOGP3) :
1.49
Log Po/w (WLOGP) :
2.9
Log Po/w (MLOGP) :
-0.37
Log Po/w (SILICOS-IT) :
2.83
Consensus Log Po/w :
1.81
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.56
Water Solubility
Log S (ESOL) :
-2.93
Solubility :
0.323 mg/ml ; 0.00116 mol/l
Class :
Soluble
Log S (Ali) :
-2.69
Solubility :
0.563 mg/ml ; 0.00203 mol/l
Class :
Soluble
Log S (SILICOS-IT) :
-5.69
Solubility :
0.000571 mg/ml ; 0.00000206 mol/l
Class :
Moderately soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
0.0
Synthetic accessibility :
2.55
Safety of [ 148332-36-9 ]
Application In Synthesis of [ 148332-36-9 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Downstream synthetic route of [ 148332-36-9 ]
1
[ 90050-70-7 ]
[ 17997-47-6 ]
[ 148332-36-9 ]
[ 148332-31-4 ]
2
(2R,5S,13R,16S)-5,16-Bis-(4-amino-butyl)-7,18-bis-(2,4-dimethoxy-benzyl)-2,13-diisobutyl-1,4,7,10,11,12,15,18,21,22-decaaza-tricyclo[18.2.1.19,12 ]tetracosa-9(24) ,10,20(23) ,21-tetraene-3,6,14,17-tetraone
[ No CAS ]
[ 148332-36-9 ]
C80 H90 N18 O10
[ No CAS ]
3
[ 148332-36-9 ]
5'-DMTO-d(TGTGACG[2'-O-(4-aminobutyl)uridylyl]ATCACATT-LCAA-CPG (protected)
[ No CAS ]
5'-HO-d(TGTGACG)-{2'-O-[N-(2,2':6',2''-terpyridine-4'-carbonyl)-4-aminobutyl]uridylyl}-d(ATCACATT)-OH
[ No CAS ]
4
[ 99-11-6 ]
[ 148332-36-9 ]
5
[ 2016-99-1 ]
[ 148332-36-9 ]
6
ammonium hexafluorophosphate
[ No CAS ]
dichlorotetrakis(dimethylsulfoxide)ruthenium(II)
[ No CAS ]
[ 148332-36-9 ]
bis(4'-carboxy-2,2':6',2''-terpyridine)ruthenium(II) bis(hexafluorophosphate)
[ No CAS ]
7
ammonium hexafluorophosphate
[ No CAS ]
Ru(2+) *NC5 H2 (C6 H4 PO(OC2 H5 )2)(C5 H4 N)2*2Cl(1-) *(CH3 )2SO=Ru(NC5 H2 (C6 H4 PO(OC2 H5 )2)(C5 H4 N)2)((CH3 )2SO)Cl2
[ No CAS ]
[ 148332-36-9 ]
(Ru(NC5 H2 (C6 H4 PO(OC2 H5 )2)(C5 H4 N)2)(NC5 H2 (COOH)(C5 H4 N)2))(2+) *2PF6 (1-) =(Ru(N3 C15 H10 C6 H4 PO(OC2 H5 )2)(N3 C15 H10 COOH))(PF6 )2
[ No CAS ]
8
ruthenium(III) chloride trihydrate
[ No CAS ]
[ 148332-36-9 ]
[ 1220636-36-1 ]
9
[ 10049-08-8 ]
[ 148332-36-9 ]
[ 1220636-36-1 ]
10
[ 148332-36-9 ]
C16 H10 ClN3 O
[ No CAS ]
11
[ 1926-80-3 ]
[ 148332-36-9 ]
[ 1332851-01-0 ]