sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane

2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane

CAS No.:
5613-46-7
Catalog Number:
AG003B33
Molecular Formula:
C19H24O2
Molecular Weight:
284.3927
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
99%(HPLC)powder
In Stock USA
United States
$73
- +
100mg
99%(HPLC)powder
In Stock USA
United States
$112
- +
1g
99%(HPLC)powder
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003B33
Chemical Name:
2,2-Bis(4-hydroxy-3,5-dimethylphenyl)propane
CAS Number:
5613-46-7
Molecular Formula:
C19H24O2
Molecular Weight:
284.3927
MDL Number:
MFCD00068238
IUPAC Name:
4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
InChI:
InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
InChI Key:
ODJUOZPKKHIEOZ-UHFFFAOYSA-N
SMILES:
CC(c1cc(C)c(c(c1)C)O)(c1cc(C)c(c(c1)C)O)C
EC Number:
227-033-5
NSC Number:
73730
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.178g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.399g/mol
Monoisotopic Mass:
284.178g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  
Literature
Title Journal
Discovery of novel SERCA inhibitors by virtual screening of a large compound library. European journal of medicinal chemistry 20110501
Structure-based virtual screening for novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase and their experimental evaluation. Bioorganic & medicinal chemistry 20090201
Properties