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Tenalisib

CAS No.:
1639417-53-0
Catalog Number:
AG01EN4F
Molecular Formula:
C23H18FN5O2
Molecular Weight:
415.4197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$307
- +
10mg
99%
1 week
United States
$460
- +
25mg
99%
1 week
United States
$751
- +
50mg
99%
1 week
United States
$1293
- +
100mg
99%
1 week
United States
$2140
- +
Product Description
Catalog Number:
AG01EN4F
Chemical Name:
Tenalisib
CAS Number:
1639417-53-0
Molecular Formula:
C23H18FN5O2
Molecular Weight:
415.4197
MDL Number:
MFCD28502205
IUPAC Name:
3-(3-fluorophenyl)-2-[(1S)-1-(7H-purin-6-ylamino)propyl]chromen-4-one
InChI:
InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m0/s1
InChI Key:
HDXDQPRPFRKGKZ-INIZCTEOSA-N
SMILES:
CC[C@@H](c1oc2ccccc2c(=O)c1c1cccc(c1)F)Nc1ncnc2c1[nH]cn2
UNII:
2261HH611H
Properties
Complexity:
704  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
415.144g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
415.428g/mol
Monoisotopic Mass:
415.144g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
[Infusion treatment in shock]. Infusionstherapie und klinische Ernahrung 19751201
Properties