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trans,trans-Farnesyl bromide

trans,trans-Farnesyl bromide - CAS 28290-41-7

Catalog:	BB019802
Product Name:	trans,trans-Farnesyl bromide
CAS:	28290-41-7
Synonyms:	(2E,6E)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene

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Computed Properties

IUPAC Name:	(2E,6E)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
Description:	An analog of Farnesol, produced in the dimorphic fungus Candida albicans.
Molecular Weight:	285.26
Molecular Formula:	C15H25Br
Canonical SMILES:	CC(=CCCC(=CCCC(=CCBr)C)C)C
InChI:	InChI=1S/C15H25Br/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
InChI Key:	FOFMBFMTJFSEEY-YFVJMOTDSA-N
Boiling Point:	333.3 °C at 760 mmHg
Purity:	95 %
Density:	1.052 g/mL at 25 °C (lit.)
Appearance:	Brown oil
MDL:	MFCD00054465
LogP:	5.80050

Publication Number	Title	Priority Date
EP-3887368-A1	3/4-((2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienylthio)benzamide derivative compounds	20191220
WO-2021126120-A1	3/4-((2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienylthio)benzamide derivative compounds	20191220
WO-2021092200-A1	Biosynthesis of chemically diversified non-natural terpene products	20191105
WO-2021067836-A1	Chinone-, hydrochinome- and naphthochinone-analogues of vatiquione for treatment of mitochondrial disorder diseases	20191004
US-2021206736-A1	Compositions and methods for the prevention and/or treatment of mitochondrial disease, including friedreich's ataxia	20191004

PMID	Publication Date	Title	Journal
18597440	20080709	Rapid and enantioselective synthetic approaches to germanicol and other pentacyclic triterpenes	Journal of the American Chemical Society

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	2
Exact Mass:	284.11396
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	284.11396
Rotatable Bond Count:	7
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.2