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Hoechst 33258 analog

CAS No.:
258843-62-8
Catalog Number:
AG00BF3O
Molecular Formula:
C29H30N6O3
Molecular Weight:
510.5869
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$640
- +
10mg
99%
1 week
United States
$890
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG00BF3O
Chemical Name:
Hoechst 33258 analog
CAS Number:
258843-62-8
Molecular Formula:
C29H30N6O3
Molecular Weight:
510.5869
MDL Number:
MFCD25976768
IUPAC Name:
4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoic acid
InChI:
InChI=1S/C29H30N6O3/c1-34-11-13-35(14-12-34)21-8-10-24-26(18-21)33-29(31-24)20-7-9-23-25(17-20)32-28(30-23)19-4-2-5-22(16-19)38-15-3-6-27(36)37/h2,4-5,7-10,16-18H,3,6,11-15H2,1H3,(H,30,32)(H,31,33)(H,36,37)
InChI Key:
QXQZJBBLMSBZHP-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc2c(c1)[nH]c(n2)c1ccc2c(c1)[nH]c(n2)c1cccc(c1)OCCCC(=O)O
Properties
Complexity:
794  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
510.238g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
510.598g/mol
Monoisotopic Mass:
510.238g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties