Home Other Building Blocks Bet-in-1

Bet-in-1

CAS No.:
1422554-34-4
Catalog Number:
AG009CM1
Molecular Formula:
C25H30N4O4
Molecular Weight:
450.5301
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG009CM1
Chemical Name:
Bet-in-1
CAS Number:
1422554-34-4
Molecular Formula:
C25H30N4O4
Molecular Weight:
450.5301
MDL Number:
MFCD16997591
IUPAC Name:
4-[8-methoxy-1-[(2R)-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C25H30N4O4/c1-14(13-30-4)29-24-18-11-22(31-5)19(23-15(2)28-33-16(23)3)10-20(18)26-12-21(24)27-25(29)17-6-8-32-9-7-17/h10-12,14,17H,6-9,13H2,1-5H3/t14-/m1/s1
InChI Key:
HYPXHDJBILNWLI-CQSZACIVSA-N
SMILES:
COC[C@H](n1c(nc2c1c1cc(OC)c(cc1nc2)c1c(C)noc1C)C1CCOCC1)C
Properties
Complexity:
650  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
450.227g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.539g/mol
Monoisotopic Mass:
450.227g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
84.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties