(S)-1-Boc-4-Fmoc-piperazine-2-carboxylic acid - CAS 1034574-30-5

Name: (S)-1-Boc-4-Fmoc-piperazine-2-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001139
Product Name:	(S)-1-Boc-4-Fmoc-piperazine-2-carboxylic acid
CAS:	1034574-30-5
Synonyms:	(2S)-4-[9H-fluoren-9-ylmethoxy(oxo)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid; (2S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

Technical Data

IUPAC Name:	(2S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
Description:	(S)-1-Boc-4-Fmoc-piperazine-2-carboxylic acid (CAS# 1034574-30-5) is used as a reactant in the synthesis of piperazinecarboxamides as factor XIIa inhibitors.
Molecular Weight:	452.50
Molecular Formula:	C25H28N2O6
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI:	InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-12-26(14-21(27)22(28)29)23(30)32-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,28,29)/t21-/m0/s1
InChI Key:	ZVHNNCSUTNWKFC-NRFANRHFSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	3.81720

Publication Number	Title	Priority Date
WO-2021016102-A1	Inhibitors of tyrosine kinase	20190719
US-2019352294-A1	Factor XIIa Inhibitors	20161118
US-10875851-B2	Factor XIIa inhibitors	20161118
CN-104046246-A	Chemical Mechanical Planarization for Tungsten-Containing Substrates	20130312
CN-104046246-B	The chemical-mechanical planarization of tungsten-containing substrate	20130312

Complexity:	728
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	452.19473662
Formal Charge:	0
Heavy Atom Count:	33
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	452.19473662
Rotatable Bond Count:	6
Topological Polar Surface Area:	96.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5