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PT-2385

CAS No.:
1672665-49-4
Catalog Number:
AG00ABOZ
Molecular Formula:
C17H12F3NO4S
Molecular Weight:
383.3417
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
99%
1 week
United States
$210
- +
5mg
99%
1 week
United States
$321
- +
10mg
99%
1 week
United States
$515
- +
50mg
99%
1 week
United States
$1862
- +
Product Description
Catalog Number:
AG00ABOZ
Chemical Name:
PT-2385
CAS Number:
1672665-49-4
Molecular Formula:
C17H12F3NO4S
Molecular Weight:
383.3417
MDL Number:
MFCD28963916
IUPAC Name:
3-[[(1S)-2,2-difluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
InChI:
InChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1
InChI Key:
ONBSHRSJOPSEGS-INIZCTEOSA-N
SMILES:
N#Cc1cc(cc(c1)F)Oc1ccc(c2c1CC(C2O)(F)F)S(=O)(=O)C
UNII:
6O16716DXP
Properties
Complexity:
686  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
383.044g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
383.341g/mol
Monoisotopic Mass:
383.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties