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Th-237a

CAS No.:
935467-97-3
Catalog Number:
AG00GU71
Molecular Formula:
C18H17F2NO3
Molecular Weight:
333.3293
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$251
- +
10mg
98%
1 week
United States
$362
- +
50mg
98%
1 week
United States
$960
- +
100mg
98%
1 week
United States
$1376
- +
Product Description
Catalog Number:
AG00GU71
Chemical Name:
Th-237a
CAS Number:
935467-97-3
Molecular Formula:
C18H17F2NO3
Molecular Weight:
333.3293
MDL Number:
MFCD18251592
IUPAC Name:
[(3S,5R)-3,5-bis(4-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
InChI:
InChI=1S/C18H17F2NO3/c19-14-5-1-12(2-6-14)16-21-17(13-3-7-15(20)8-4-13)24-11-18(21,9-22)10-23-16/h1-8,16-17,22H,9-11H2/t16-,17+,18?
InChI Key:
AEZQGSQEXPUADE-JWTNVVGKSA-N
SMILES:
OCC12COC(N2C(OC1)c1ccc(cc1)F)c1ccc(cc1)F
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
333.118g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.335g/mol
Monoisotopic Mass:
333.118g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
(3R,5S,7as)-(3,5-Bis(4-fluorophenyl)tetrahydro-1H-oxazolo[3,4-c]oxazol-7a-yl)methanol, a novel neuroprotective agent. Journal of medicinal chemistry 20091210
Properties