Methyl 5-(Boc-amino)-4-nitrothiophene-2-carboxylate - CAS 1351238-59-9
Catalog: |
BB008081 |
Product Name: |
Methyl 5-(Boc-amino)-4-nitrothiophene-2-carboxylate |
CAS: |
1351238-59-9 |
Synonyms: |
5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-nitro-2-thiophenecarboxylic acid methyl ester; methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitrothiophene-2-carboxylate |
IUPAC Name: | methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-nitrothiophene-2-carboxylate |
Description: | Methyl 5-(Boc-amino)-4-nitrothiophene-2-carboxylate (CAS# 1351238-59-9 ) is a useful research chemical. |
Molecular Weight: | 302.30 |
Molecular Formula: | C11H14N2O6S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(C=C(S1)C(=O)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C11H14N2O6S/c1-11(2,3)19-10(15)12-8-6(13(16)17)5-7(20-8)9(14)18-4/h5H,1-4H3,(H,12,15) |
InChI Key: | ZDDUVANGKSMLPR-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
LogP: | 3.38610 |
Publication Number | Title | Priority Date |
EP-2576566-A1 | Thieno (2, 3b) pyrazine compounds as b - raf inhibitors | 20100528 |
EP-2576566-B1 | Thieno(2,3b)pyrazine compounds as b-raf inhibitors | 20100528 |
US-2013079341-A1 | Thieno (2, 3b) pyrazine compounds as b-raf inhibitors | 20100528 |
US-8669256-B2 | Substituted thieno[2,3-b]pyrazine compounds as modulators of B-Raf kinase activity | 20100528 |
WO-2011147764-A1 | Thieno (2, 3b) pyrazine compounds as b - raf inhibitors | 20100528 |
Complexity: | 403 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.05725734 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.05725734 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 139 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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