3-(Boc-amino)-2-bromothiophene - CAS 21483-64-7
Catalog: |
BB016902 |
Product Name: |
3-(Boc-amino)-2-bromothiophene |
CAS: |
21483-64-7 |
Synonyms: |
tert-butyl N-(2-bromothiophen-3-yl)carbamate |
IUPAC Name: | tert-butyl N-(2-bromothiophen-3-yl)carbamate |
Description: | 3-(Boc-amino)-2-bromothiophene (CAS# 21483-64-7) is used in preparation of thienopyrazines as inhibitors of IRAK4 activity. |
Molecular Weight: | 278.17 |
Molecular Formula: | C9H12BrNO2S |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(SC=C1)Br |
InChI: | InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-6-4-5-14-7(6)10/h4-5H,1-3H3,(H,11,12) |
InChI Key: | UCPJQSLSJLTVND-UHFFFAOYSA-N |
LogP: | 3.87120 |
Publication Number | Title | Priority Date |
EP-3267996-A1 | Pyrazolopyrimidine inhibitors of irak4 activity | 20150312 |
EP-3268004-A1 | Pyrrolopyridazine inhibitors of irak4 activity | 20150312 |
EP-3268004-B1 | Pyrrolopyridazine inhibitors of irak4 activity | 20150312 |
EP-3268006-B1 | Pyrrolotriazine inhibitors of irak4 activity | 20150312 |
US-10040798-B2 | Pyrrolopyridazine inhibitors of IRAK4 activity | 20150312 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.97721 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.97721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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