(S)-1-Boc-2-(4-iodo-2-imidazolyl)pyrrolidine - CAS 1228552-62-2

Name: (S)-1-Boc-2-(4-iodo-2-imidazolyl)pyrrolidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB005539
Product Name:	(S)-1-Boc-2-(4-iodo-2-imidazolyl)pyrrolidine
CAS:	1228552-62-2
Synonyms:	(2S)-2-(5-iodo-1H-imidazol-2-yl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (2S)-2-(5-iodo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl (2S)-2-(5-iodo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
Description:	(S)-1-Boc-2-(4-iodo-2-imidazolyl)pyrrolidine (CAS# 1228552-62-2 ) is a useful research chemical.
Molecular Weight:	363.19
Molecular Formula:	C12H18IN3O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC1C2=NC=C(N2)I
InChI:	InChI=1S/C12H18IN3O2/c1-12(2,3)18-11(17)16-6-4-5-8(16)10-14-7-9(13)15-10/h7-8H,4-6H2,1-3H3,(H,14,15)/t8-/m0/s1
InChI Key:	NSXDWECYTNLRMJ-QMMMGPOBSA-N
LogP:	3.02420

Publication Number	Title	Priority Date
RU-2669919-C1	Pan-genomic inhibitors of the hepatitis c virus protein ns5a, pharmaceutical compositions, intermediates for the synthesis of inhibitors, and methods for their preparation and use	20150904
US-2017066746-A1	Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods	20150904
US-9790207-B2	Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods	20150904
WO-2017039791-A1	Pan-genomic inhibitors of ns5a protein encoded by hcv, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods.	20150904
WO-2014131315-A1	Bridged ring compounds as hepatitis c virus inhibitors, pharmaceutical compositions and uses thereof	20130227

Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	363.04437
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	363.04437
Rotatable Bond Count:	3
Topological Polar Surface Area:	58.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2