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Ethyl 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate

Ethyl 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate - CAS 238749-50-3

Name: Ethyl 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018223
Product Name:	Ethyl 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
CAS:	238749-50-3
Synonyms:	2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester; ethyl 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate
Description:	Ethyl 2-Bromo-4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS# 238749-50-3 ) is a useful research chemical.
Molecular Weight:	274.13
Molecular Formula:	C9H8BrNO2S
Canonical SMILES:	CCOC(=O)C1=CC2=C(N1)C=C(S2)Br
InChI:	InChI=1S/C9H8BrNO2S/c1-2-13-9(12)6-3-7-5(11-6)4-8(10)14-7/h3-4,11H,2H2,1H3
InChI Key:	KXGSKTSSCQBDOA-UHFFFAOYSA-N
Purity:	98.0%
LogP:	3.16860

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Publication Number	Title	Priority Date
WO-2020167976-A1	Thieno[3,2-b] pyrrole[3,2-d]pyridazinone derivatives and their use as pkm2 derivatives for the treatment of cancer, obesity and diabetes related disorders	20190213
WO-2020033490-A1	Substituted thienopyrroles as pad4 inhibitors	20180808
EP-3833671-A1	Substituted thienopyrroles as pad4 inhibitors	20180808
KR-20210042935-A	Substituted thienopyrrole as a PAD4 inhibitor	20180808
WO-2016132597-A1	Resin composition and molded body	20150218

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.94591
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	272.94591
Rotatable Bond Count:	3
Topological Polar Surface Area:	70.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4