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LMI070

CAS No.:
1562338-42-4
Catalog Number:
AG00ABOA
Molecular Formula:
C22H27N5O2
Molecular Weight:
393.4821
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$223
- +
10mg
99%
1 week
United States
$321
- +
50mg
99%
1 week
United States
$737
- +
100mg
99%
1 week
United States
$1015
- +
Product Description
Catalog Number:
AG00ABOA
Chemical Name:
LMI070
CAS Number:
1562338-42-4
Molecular Formula:
C22H27N5O2
Molecular Weight:
393.4821
MDL Number:
MFCD29472288
IUPAC Name:
5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
InChI:
InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)
InChI Key:
STWTUEAWRAIWJG-UHFFFAOYSA-N
SMILES:
Oc1cc(ccc1c1ccc(nn1)OC1CC(C)(C)NC(C1)(C)C)c1c[nH]nc1
UNII:
P12R69543A
Properties
Complexity:
541  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.216g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
393.491g/mol
Monoisotopic Mass:
393.216g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties