Home Other Building Blocks Bont-in-1

Bont-in-1

CAS No.:
694443-03-3
Catalog Number:
AG00FC1G
Molecular Formula:
C23H20N4O3
Molecular Weight:
400.4299
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
50mg
98%
1 week
United States
$2557
- +
100mg
98%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00FC1G
Chemical Name:
Bont-in-1
CAS Number:
694443-03-3
Molecular Formula:
C23H20N4O3
Molecular Weight:
400.4299
MDL Number:
MFCD03999331
IUPAC Name:
2-methyl-7-[[(4-methylpyridin-2-yl)amino]-(2-nitrophenyl)methyl]quinolin-8-ol
InChI:
InChI=1S/C23H20N4O3/c1-14-11-12-24-20(13-14)26-22(17-5-3-4-6-19(17)27(29)30)18-10-9-16-8-7-15(2)25-21(16)23(18)28/h3-13,22,28H,1-2H3,(H,24,26)
InChI Key:
VXPGAZJVEWWXED-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)NC(c1ccc2c(c1O)nc(cc2)C)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
585  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.154g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
400.438g/mol
Monoisotopic Mass:
400.154g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties