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Briciclib

CAS No.:
865783-99-9
Catalog Number:
AG00GU5H
Molecular Formula:
C19H23O10PS
Molecular Weight:
474.4187
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
≥98%
1 week
United States
$239
- +
10mg
99%
1 week
United States
$362
- +
25mg
≥98%
1 week
United States
$711
- +
50mg
99%
1 week
United States
$918
- +
100mg
99%
1 week
United States
$1335
- +
Product Description
Catalog Number:
AG00GU5H
Chemical Name:
Briciclib
CAS Number:
865783-99-9
Molecular Formula:
C19H23O10PS
Molecular Weight:
474.4187
MDL Number:
MFCD22665751
IUPAC Name:
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl] dihydrogen phosphate
InChI:
InChI=1S/C19H23O10PS/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22/h5-11H,12H2,1-4H3,(H2,20,21,22)/b8-7+
InChI Key:
LXENKEWVEVKKGV-BQYQJAHWSA-N
SMILES:
COc1cc(OC)c(c(c1)OC)/C=C/S(=O)(=O)Cc1ccc(c(c1)OP(=O)(O)O)OC
UNII:
WG93X96336
Properties
Complexity:
717  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
474.075g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
474.417g/mol
Monoisotopic Mass:
474.075g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties