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