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Radioprotectin-1 10mg

CAT: 0628-A18628-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A18628-10Size:10 mg
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CAS Number
1622006-09-0

Chemical Information

5-Chloro-2-[(4-{2,4-dioxo-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaen-3-yl}butyl)sulfamoyl]benzoic acid
CAS Number1622006-09-0
PubChem CID77461257
IUPAC Name5-chloro-2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butylsulfamoyl]benzoic acid
Molecular FormulaC23H19ClN2O6S
Molecular Weight486.9
XLogP3.7
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity845
SMILES
C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCNS(=O)(=O)C4=C(C=C(C=C4)Cl)C(=O)O
InChI
InChI=1S/C23H19ClN2O6S/c24-15-9-10-19(18(13-15)23(29)30)33(31,32)25-11-1-2-12-26-21(27)16-7-3-5-14-6-4-8-17(20(14)16)22(26)28/h3-10,13,25H,1-2,11-12H2,(H,29,30)
InChIKey
OVJUYQCJIFWMBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-[(4-{2,4-dioxo-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaen-3-yl}butyl)sulfamoyl]benzoic acid
CAS: 1622006-09-0
CID: 77461257
Formula: C23H19ClN2O6S
MW: 486.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight486.9
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass486.0652352
Monoisotopic Mass486.0652352
Topological Polar Surface Area129 Ų
Heavy Atom Count33
Formal Charge0
Complexity845
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes