Home Other Building Blocks Ido-in-5

Ido-in-5

CAS No.:
1402837-79-9
Catalog Number:
AG009CIC
Molecular Formula:
C18H21FN2O2
Molecular Weight:
316.3699
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
1 week
United States
$1307
- +
10mg
95%
1 week
United States
$2057
- +
Product Description
Catalog Number:
AG009CIC
Chemical Name:
Ido-in-5
CAS Number:
1402837-79-9
Molecular Formula:
C18H21FN2O2
Molecular Weight:
316.3699
MDL Number:
MFCD29472255
IUPAC Name:
4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol
InChI:
InChI=1S/C18H21FN2O2/c19-14-3-1-2-13-16-9-20-10-21(16)15(18(13)14)8-17(23)11-4-6-12(22)7-5-11/h1-3,9-12,15,17,22-23H,4-8H2
InChI Key:
YGACXVRLDHEXKY-UHFFFAOYSA-N
SMILES:
O[C@@H]1CC[C@H](CC1)[C@@H](C[C@H]1n2cncc2c2c1c(F)ccc2)O
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.159g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
316.376g/mol
Monoisotopic Mass:
316.159g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties