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Home Other Building Blocks YHO-13177

YHO-13177

CAS No.:
912287-56-0
Catalog Number:
AG00GU9M
Molecular Formula:
C20H22N2O3S
Molecular Weight:
370.4653
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:
AG00GU9M
Chemical Name:
YHO-13177
CAS Number:
912287-56-0
Molecular Formula:
C20H22N2O3S
Molecular Weight:
370.4653
MDL Number:
MFCD28900680
IUPAC Name:
(Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-hydroxypiperidin-1-yl)thiophen-2-yl]prop-2-enenitrile
InChI:
InChI=1S/C20H22N2O3S/c1-24-18-5-3-14(12-19(18)25-2)15(13-21)11-17-4-6-20(26-17)22-9-7-16(23)8-10-22/h3-6,11-12,16,23H,7-10H2,1-2H3/b15-11+
InChI Key:
NOGGBVNCVONHHC-RVDMUPIBSA-N
SMILES:
N#C/C(=C\c1ccc(s1)N1CCC(CC1)O)/c1ccc(c(c1)OC)OC
Properties
Complexity:
538  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
370.135g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
370.467g/mol
Monoisotopic Mass:
370.135g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Novel acrylonitrile derivatives, YHO-13177 and YHO-13351, reverse BCRP/ABCG2-mediated drug resistance in vitro and in vivo. Molecular cancer therapeutics 20110701
Properties