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BIBR 1532

CAT: 0607-A1945-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-A1945-5Size:5 mg
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Description
Telomerase inhibitor,novel and selective
CAS Number
321674-73-1
Product Name Alternative
2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid
Field of Research
DNA Damage DNA Repair Telomerase
Purity
0.998
Form
A solid
Solubility
insoluble in H2O; ≥15.65 mg/mL in DMSO; ≥2.36 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2
Molecular Formula
C21H17NO3
Molecular Weight
331.36
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Bibr 1532

2-[[3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid is an amidobenzoic acid.

CAS Number321674-73-1
PubChem CID9927531
IUPAC Name2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid
Molecular FormulaC21H17NO3
Molecular Weight331.4
XLogP5.1
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity527
SMILES
C/C(=C\C(=O)NC1=CC=CC=C1C(=O)O)/C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
InChIKey
PGFQXGLPJUCTOI-WYMLVPIESA-N
Chemical Structure
2D Structure
2D structure of Bibr 1532
CAS: 321674-73-1
CID: 9927531
Formula: C21H17NO3
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass331.12084340
Monoisotopic Mass331.12084340
Topological Polar Surface Area66.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity527
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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