1-Benzosuberone - CAS 826-73-3

Name: 1-Benzosuberone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036877
Product Name:	1-Benzosuberone
CAS:	826-73-3
Synonyms:	6,7,8,9-tetrahydrobenzo[7]annulen-5-one

Technical Data

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Computed Properties

IUPAC Name:	6,7,8,9-tetrahydrobenzo[7]annulen-5-one
Description:	1-Benzosuberone (CAS# 826-73-3) is used in the synthesis of novel benzosuberone bearing coumarin moieties as potential anticancer agents.
Molecular Weight:	160.21
Molecular Formula:	C11H12O
Canonical SMILES:	C1CCC(=O)C2=CC=CC=C2C1
InChI:	InChI=1S/C11H12O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7H,2,4,6,8H2
InChI Key:	KWHUHTFXMNQHAA-UHFFFAOYSA-N
Boiling Point:	274.1 °C at 760 mmHg
Density:	1.071 g/mL at 25°C(lit.)
LogP:	2.59570

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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PMID	Publication Date	Title	Journal
23428964	20130401	Selective aminopeptidase-N (CD13) inhibitors with relevance to cancer chemotherapy	Bioorganic & medicinal chemistry
21843945	20110915	A novel amino-benzosuberone derivative is a picomolar inhibitor of mammalian aminopeptidase N/CD13	Bioorganic & medicinal chemistry
21486212	20110501	Novel mast cell-stabilising amine derivatives of 3,4 dihydronaphthalen-1(2H)-one and 6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one	Medicinal chemistry (Shariqah (United Arab Emirates))
21292493	20110215	Amino-benzosuberone: a novel warhead for selective inhibition of human aminopeptidase-N/CD13	Bioorganic & medicinal chemistry
21804900	20110101	Kinetic analysis of some chalcones and synthetic chalcone analogues on the fenton-reaction initiated deoxyribose degradation assay	The open medicinal chemistry journal

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.088815002
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.088815002
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6