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DACN (Tos) hydrochloride

CAT: 0931-T89724-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T89724-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2331322-18-8
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
DACN (Tos) hydrochloride is a click chemistry reagent featuring a cycloalkyne group. The cycloalkynes distinct bent structure enhances its reactivity in cycloaddition reactions, such as the strain-promoted azide-alkyne cycloaddition (SPAAC) . DACNs exhibit high thermal and chemical stability, along with substantial click reactivity. This compound is utilized in studies of molecular conjugation.
Smiles
Cl.O=S(=O)(C1=CC=C(C=C1)C)N2CC#CCNCCC2
Molecular Formula
C14H19ClN2O2S
Molecular Weight
314.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DACN(Tos) hydrochloride
CAS Number2331322-18-8
PubChem CID164512776
IUPAC Name1-(4-methylphenyl)sulfonyl-1,5-diazacyclonon-7-yne;hydrochloride
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.8
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity447
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCC#CC2.Cl
InChI
InChI=1S/C14H18N2O2S.ClH/c1-13-5-7-14(8-6-13)19(17,18)16-11-3-2-9-15-10-4-12-16;/h5-8,15H,4,9-12H2,1H3;1H
InChIKey
GTZOSSXITQXUOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DACN(Tos) hydrochloride
CAS: 2331322-18-8
CID: 164512776
Formula: C14H19ClN2O2S
MW: 314.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass314.0855767
Monoisotopic Mass314.0855767
Topological Polar Surface Area57.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-151795DACN (Tos) (hydrochloride)
GTR19237631-01DACN (Tos) hydrochloride
HY-151707DACN (Tos, Ns)
HY-151771DACN (Tos, Mal)
HY-151766DACN (Tos, Suc-OH)
GTR19237639-01DACN (Tos, Suc-NHS)
HY-151770DACN(Tos,Suc-NHS)
HY-151794DACN (Ms) (hydrochloride)
GTR19238401-01DACN (Ms) hydrochloride
TRC-L488868-1GH-Lys(Tos)-Oh Hydrochloride

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