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IDE 1

CAT: 0607-B7566-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7566-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
activate the TGF-β signaling pathway
CAS Number
1160927-48-9
Product Name Alternative
2-((E)-((Z)-(6-carboxy-1-hydroxyhexylidene)hydrazono)methyl)benzoic acid
Field of Research
Stem Cell Wnt β-catenin
Purity
0.974
Form
A crystalline solid
Solubility
insoluble in H2O; ≥59.7 mg/mL in DMSO; ≥6.39 mg/mL in EtOH with ultrasonic
Smiles
O/C(CCCCCC(O)=O)=N\N=C([H])\C1=CC=CC=C1C(O)=O
Molecular Formula
C15H18N2O5
Molecular Weight
306.31
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2-{[(6-Carboxyhexanamido)imino]methyl}benzoic acid
CAS Number1160927-48-9
PubChem CID23749403
IUPAC Name2-[(E)-(6-carboxyhexanoylhydrazinylidene)methyl]benzoic acid
Molecular FormulaC15H18N2O5
Molecular Weight306.31
XLogP1.4
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity422
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CCCCCC(=O)O)C(=O)O
InChI
InChI=1S/C15H18N2O5/c18-13(8-2-1-3-9-14(19)20)17-16-10-11-6-4-5-7-12(11)15(21)22/h4-7,10H,1-3,8-9H2,(H,17,18)(H,19,20)(H,21,22)/b16-10+
InChIKey
ABKJCDILEUEJSH-MHWRWJLKSA-N
Chemical Structure
2D Structure
2D structure of 2-{[(6-Carboxyhexanamido)imino]methyl}benzoic acid
CAS: 1160927-48-9
CID: 23749403
Formula: C15H18N2O5
MW: 306.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.31
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass306.12157168
Monoisotopic Mass306.12157168
Topological Polar Surface Area116 Ų
Heavy Atom Count22
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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