DBCO-NHS ester - CAS 1353016-71-3

Catalog:	BB008132
Product Name:	DBCO-NHS ester
CAS:	1353016-71-3
Synonyms:	DBCO-NHS;N-Succinimidyl 4-[(5-Aza-3,4:7,8-dibenzocyclooct-1-yne)-5-yl]-4-oxobutyrate

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Catalog	Size	Price	Stock	Quantity
BB008132	1 g	$1344	In stock

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Technical Data

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Computed Properties

Molecular Weight:	402.40
Molecular Formula:	C23H18N2O5
Canonical SMILES:	C1CC(=O)N(C1=O)OC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
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
Purity:	> 99.0 %
Solubility:	DMSO: 100 mg/ml (24851 mm, need ultrasonic)
Appearance:	White powder
Storage:	Keep in freezer under -20 °C upon receipt of the product.
LogP:	2.32330

Publication Number	Title	Priority Date
WO-2021209007-A1	Antibody-drug conjugate	20200415
CN-111494643-A	Albumin-DNA composite functional material and preparation and application thereof	20200331
WO-2021177438-A1	Antibody-drug conjugate including novel cyclic dinucleotide derivative	20200306
WO-2021174091-A1	Transglutaminase-mediated conjugation	20200228
WO-2021174035-A1	Intercellular and intracellular proximity-based labeling compositions and systems	20200227

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Complexity:	778
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	402.12157168
Formal Charge:	0
Heavy Atom Count:	30
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	402.12157168
Rotatable Bond Count:	5
Topological Polar Surface Area:	84
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7