AG009ZVZ

Name: DBCO-NHS
Brand: Angene Chemical
SKU: AG009ZVZ

1353016-71-3 | DBCO-NHS

AG009ZVZ

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CAS Number	1353016-71-3
Catalog Number	AG009ZVZ(AGN-PC-0WP0U7)
Chemical Name	DBCO-NHS
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoate
InChI	InChI=1S/C23H18N2O5/c26-20(13-14-23(29)30-25-21(27)11-12-22(25)28)24-15-18-7-2-1-5-16(18)9-10-17-6-3-4-8-19(17)24/h1-8H,11-15H2
InChI Key	XCEBOJWFQSQZKR-UHFFFAOYSA-N
MDL Number	MFCD24386367
Molecular Formula	C23H18N2O5
Molecular Weight	402.3994
SMILES	O=C(CCC(N2C(C=CC=C3)=C3C#CC(C=CC=C4)=C4C2)=O)ON1C(CCC1=O)=O
Synonyms	DBCO-NHS, 1353016-71-3, Dbco-nhs ester, DBCO NHS, SCHEMBL17151133, ZINC97944303, AKOS030527169, CS-W000424, BP-22231, CS-0021839, 4-[11,12-Didehydrodibenzo[b,f]azocine-5(6H)-yl]-4-oxobutanoic acid 2,5-dioxopyrrolizino, Dibenzocyclooctyne-N-hydroxysuccinimidyl ester, for Copper-free Click Chemistry,

Complexity	778
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	402.122g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	402.406g/mol
Monoisotopic Mass	402.122g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	84A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited