Home Sulfos ((2R,4R)-Rel-2-((1h-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate

((2R,4R)-Rel-2-((1h-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate

CAS No.:
134071-44-6
Catalog Number:
AG00HT5F
Molecular Formula:
C21H20Cl2N2O5S
Molecular Weight:
483.3649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%(HPLC)
In Stock USA
United States
$73
- +
1g
98%(HPLC)
In Stock USA
United States
$155
- +
5g
98%(HPLC)
In Stock USA
United States
$433
- +
Product Description
Catalog Number:
AG00HT5F
Chemical Name:
((2R,4R)-Rel-2-((1h-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
CAS Number:
134071-44-6
Molecular Formula:
C21H20Cl2N2O5S
Molecular Weight:
483.3649
MDL Number:
MFCD07367827
IUPAC Name:
[(2R,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3/t17-,21+/m1/s1
InChI Key:
WAXNIYHZFWRPGS-UTKZUKDTSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC[C@H]1CO[C@](O1)(Cn1ccnc1)c1ccc(cc1Cl)Cl
EC Number:
603-791-6
Properties
Complexity:
700  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
482.047g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
483.36g/mol
Monoisotopic Mass:
482.047g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Partial structures of ketoconazole as modulators of the large conductance calcium-activated potassium channel (BK(Ca)). Bioorganic & medicinal chemistry letters 20060215
Properties