Methyl 4- Bromo- 7- methyl- 1H- indole- 6- carboxylate - CAS 1260382-73-7
Catalog: |
BB059789 |
Product Name: |
Methyl 4- Bromo- 7- methyl- 1H- indole- 6- carboxylate |
CAS: |
1260382-73-7 |
Synonyms: |
Methyl 4-bromo-7-methyl-1H-indole-6-carboxylate; 4-Bromo-7-methyl-indole-6-carboxylic acid methyl ester; methyl4-bromo-7-methyl-1H-indole-6-carboxylate |
IUPAC Name: | methyl 4-bromo-7-methyl-1H-indole-6-carboxylate |
Description: | Methyl 4- Bromo- 7- methyl- 1H- indole- 6- carboxylate is a reagent used in the synthesis of EZH2 inhibitors which are useful in the treatment of certain cancers. |
Molecular Weight: | 268.11 |
Molecular Formula: | C11H10BrNO2 |
Canonical SMILES: | CC1=C2C(=C(C=C1C(=O)OC)Br)C=CN2 |
InChI: | InChI=1S/C11H10BrNO2/c1-6-8(11(14)15-2)5-9(12)7-3-4-13-10(6)7/h3-5,13H,1-2H3 |
InChI Key: | XGPWRDDPMYKYLE-UHFFFAOYSA-N |
References: | Gupte, A. et al. PCT Int. Appl. (2015), WO 2015104677 A1 20150716.. |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.98949 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.98949 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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