9-Bromo-8-methoxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile - CAS 1256579-03-9
Catalog: |
BB006177 |
Product Name: |
9-Bromo-8-methoxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile |
CAS: |
1256579-03-9 |
Synonyms: |
9-bromo-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile; 9-bromo-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile |
IUPAC Name: | 9-bromo-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile |
Description: | 9-Bromo-8-methoxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile (CAS# 1256579-03-9 ) is a useful research chemical. |
Molecular Weight: | 395.25 |
Molecular Formula: | C20H15BrN2O2 |
Canonical SMILES: | CC1(C2=CC(=C(C=C2C(=O)C3=C1NC4=C3C=CC(=C4)C#N)Br)OC)C |
InChI: | InChI=1S/C20H15BrN2O2/c1-20(2)13-8-16(25-3)14(21)7-12(13)18(24)17-11-5-4-10(9-22)6-15(11)23-19(17)20/h4-8,23H,1-3H3 |
InChI Key: | GUISUVNGHUNBTO-UHFFFAOYSA-N |
LogP: | 4.68098 |
Publication Number | Title | Priority Date |
CN-110452215-B | Preparation method of erlotinib intermediate and erlotinib | 20180508 |
US-2016257667-A1 | Synthesis of intermediates in the preparation of alk inhibitor | 20150302 |
US-9573932-B2 | Synthesis of intermediates in the preparation of ALK inhibitor | 20150302 |
US-10221155-B2 | Method for preparing Alectinib | 20141112 |
US-2017247352-A1 | Method for preparing alectinib | 20141112 |
Complexity: | 612 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 394.03169 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 394.03169 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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