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M-110

CAS No.:
1395048-49-3
Catalog Number:
AG009CIY
Molecular Formula:
C22H28ClN5O3
Molecular Weight:
445.9424
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
1 week
United States
$328
- +
10mg
95%
1 week
United States
$515
- +
Product Description
Catalog Number:
AG009CIY
Chemical Name:
M-110
CAS Number:
1395048-49-3
Molecular Formula:
C22H28ClN5O3
Molecular Weight:
445.9424
MDL Number:
MFCD28963911
IUPAC Name:
N-[(E)-1-(4-chloro-2-hydroxyphenyl)propylideneamino]-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxamide
InChI:
InChI=1S/C22H28ClN5O3/c1-2-19(18-5-4-17(23)15-20(18)29)26-27-22(30)16-6-8-25-21(14-16)24-7-3-9-28-10-12-31-13-11-28/h4-6,8,14-15,29H,2-3,7,9-13H2,1H3,(H,24,25)(H,27,30)/b26-19+
InChI Key:
FXXCNYVQIONABS-LGUFXXKBSA-N
SMILES:
CC/C(=N\NC(=O)c1ccnc(c1)NCCCN1CCOCC1)/c1ccc(cc1O)Cl
Properties
Complexity:
588  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
445.188g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
445.948g/mol
Monoisotopic Mass:
445.188g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties