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DBCO acid 2

CAT: 1410-M10763-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M10763-05Size:50 mg
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Description
DBCO acid 2 is a Click Chemistry intermidate used for antibody-drug conjugates.
CAS Number
1207355-31-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
319.36
Molecular Formula
C20H17NO3
Notes
Research use only, not for human use.
Receptor
ADCs Linker/Click Chemistry

Chemical Information

DBCO-C3-Acid
CAS Number1207355-31-4
PubChem CID85470609
IUPAC Name5-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-5-oxopentanoic acid
Molecular FormulaC20H17NO3
Molecular Weight319.4
XLogP2.7
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity544
SMILES
C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCCC(=O)O
InChI
InChI=1S/C20H17NO3/c22-19(10-5-11-20(23)24)21-14-17-8-2-1-6-15(17)12-13-16-7-3-4-9-18(16)21/h1-4,6-9H,5,10-11,14H2,(H,23,24)
InChIKey
KDYPHAQTQRXDCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-C3-Acid
CAS: 1207355-31-4
CID: 85470609
Formula: C20H17NO3
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass319.12084340
Monoisotopic Mass319.12084340
Topological Polar Surface Area57.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity544
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

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