N-(5-Bromopentyl)phthalimide - CAS 954-81-4

Name: N-(5-Bromopentyl)phthalimide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041731
Product Name:	N-(5-Bromopentyl)phthalimide
CAS:	954-81-4
Synonyms:	2-(5-bromopentyl)isoindole-1,3-dione

Technical Data

IUPAC Name:	2-(5-bromopentyl)isoindole-1,3-dione
Description:	N-(5-Bromopentyl)phthalimide acts as a reagent in the synthesis of organofluorine isoselenocyanate analogs of sulforaphane with anticancer activity against two breast cancer cell lines. It also functions as a reagent in the preparation of N-[[[[(benzothiazolyl)methyl]thio]pyrimidinyl]hexyl]biotinamide (biotin-BMMP) and determination of its activity toward HIV-1 virus.
Molecular Weight:	296.16
Molecular Formula:	C13H14BrNO2
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCBr
InChI:	InChI=1S/C13H14BrNO2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,8-9H2
InChI Key:	QKVHAKICMNABGB-UHFFFAOYSA-N
Boiling Point:	393.1 °C at 760 mmHg
Density:	1.459 g/cm³
MDL:	MFCD00060522
LogP:	2.78570

GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113429386-A	Synthetic method of R-lipoic acid	20210709
US-2021253556-A1	Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) and methods of use thereof	20200204
WO-2021155748-A1	Inhibitors of malarial and plasmodium falciparum hexose transporter and uses thereof	20200204
WO-2021158829-A1	Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) and methods of use thereof	20200204
WO-2021092153-A1	Selective dual histone deacetylase 6/8 (hdac6/8) degraders and methods of use thereof	20191106

Complexity:	282
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.02079
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	295.02079
Rotatable Bond Count:	5
Topological Polar Surface Area:	37.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3