Home Other Building Blocks YHO-13351 free base

YHO-13351 free base

CAS No.:
912288-64-3
Catalog Number:
AG00GUBQ
Molecular Formula:
C26H33N3O4S
Molecular Weight:
483.6229
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$196
- +
10mg
98%
1 week
United States
$265
- +
50mg
98%
1 week
United States
$682
- +
100mg
98%
1 week
United States
$1098
- +
Product Description
Catalog Number:
AG00GUBQ
Chemical Name:
YHO-13351 free base
CAS Number:
912288-64-3
Molecular Formula:
C26H33N3O4S
Molecular Weight:
483.6229
MDL Number:
MFCD29917848
IUPAC Name:
[1-[5-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]thiophen-2-yl]piperidin-4-yl] 2-(diethylamino)acetate
InChI:
InChI=1S/C26H33N3O4S/c1-5-28(6-2)18-26(30)33-21-11-13-29(14-12-21)25-10-8-22(34-25)15-20(17-27)19-7-9-23(31-3)24(16-19)32-4/h7-10,15-16,21H,5-6,11-14,18H2,1-4H3/b20-15+
InChI Key:
STLNUMIUXISGQQ-HMMYKYKNSA-N
SMILES:
CCN(CC(=O)OC1CCN(CC1)c1ccc(s1)/C=C(/c1ccc(c(c1)OC)OC)\C#N)CC
Properties
Complexity:
727  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
483.219g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
483.627g/mol
Monoisotopic Mass:
483.219g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Properties