N-Boc-3-bromo-4-methylindole - CAS 1305320-64-2
Catalog: |
BB007126 |
Product Name: |
N-Boc-3-bromo-4-methylindole |
CAS: |
1305320-64-2 |
Synonyms: |
3-bromo-4-methyl-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-bromo-4-methylindole-1-carboxylate |
IUPAC Name: | tert-butyl 3-bromo-4-methylindole-1-carboxylate |
Description: | N-Boc-3-bromo-4-methylindole (CAS# 1305320-64-2) is a useful research chemical. |
Molecular Weight: | 310.19 |
Molecular Formula: | C14H16BrNO2 |
Canonical SMILES: | CC1=C2C(=CC=C1)N(C=C2Br)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C14H16BrNO2/c1-9-6-5-7-11-12(9)10(15)8-16(11)13(17)18-14(2,3)4/h5-8H,1-4H3 |
InChI Key: | QWVXXRZFCVHOPO-UHFFFAOYSA-N |
LogP: | 4.49540 |
Publication Number | Title | Priority Date |
WO-2020074926-A1 | Cyclohexapeptides as selective somatostatin sst5 receptor agonists | 20181012 |
CN-113195517-A | As selective somatostatin SST5Cyclohexapeptides of receptor agonists | 20181012 |
EP-3864026-A1 | Cyclohexapeptides as selective somatostatin sst5 receptor agonists | 20181012 |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.03644 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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