1-Boc-7-azaindole-3-carboxaldehyde - CAS 144657-66-9
Catalog: |
BB009816 |
Product Name: |
1-Boc-7-azaindole-3-carboxaldehyde |
CAS: |
144657-66-9 |
Synonyms: |
tert-butyl 3-formylpyrrolo[2,3-b]pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 3-formylpyrrolo[2,3-b]pyridine-1-carboxylate |
Description: | 1-Boc-7-azaindole-3-carboxaldehyde (CAS# 144657-66-9) is a useful reagent in study of eletrophilic fragment-based design of reversible covalent kinase inhibitors. |
Molecular Weight: | 246.26 |
Molecular Formula: | C13H14N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C=C(C2=C1N=CC=C2)C=O |
InChI: | InChI=1S/C13H14N2O3/c1-13(2,3)18-12(17)15-7-9(8-16)10-5-4-6-14-11(10)15/h4-8H,1-3H3 |
InChI Key: | GFZQRKMUXOECFL-UHFFFAOYSA-N |
Appearance: | White to tan crystalline powder |
MDL: | MFCD11045434 |
LogP: | 2.63200 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020095245-A1 | Novel methods for preparation of substituted pyridines and related novel compounds | 20180924 |
US-11117893-B2 | Methods for preparation of substituted pyridines and related novel compounds | 20180924 |
CN-110461849-A | A kind of CSF1R inhibitor and its preparation method and application | 20170619 |
WO-2018233526-A1 | CSF1R inhibitor and preparation method and application thereof | 20170619 |
CN-110461849-B | CSF1R inhibitor and preparation method and application thereof | 20170619 |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.10044231 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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