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TrkA Inhibitor

CAT: 0024-sc-311553Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-311553Size:1 mg
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CAS Number
388626-12-8

Chemical Information

TrkA Inhibitor
CAS Number388626-12-8
PubChem CID3160258
IUPAC Name4-[(2-hydroxy-1H-indol-3-yl)methylideneamino]benzenesulfonamide
Molecular FormulaC15H13N3O3S
Molecular Weight315.3
XLogP1.9
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity509
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)C=NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C15H13N3O3S/c16-22(20,21)11-7-5-10(6-8-11)17-9-13-12-3-1-2-4-14(12)18-15(13)19/h1-9,18-19H,(H2,16,20,21)
InChIKey
NCJKZPXFXOMPSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TrkA Inhibitor
CAS: 388626-12-8
CID: 3160258
Formula: C15H13N3O3S
MW: 315.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight315.3
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass315.06776246
Monoisotopic Mass315.06776246
Topological Polar Surface Area117 Ų
Heavy Atom Count22
Formal Charge0
Complexity509
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