6-Bromo-2,3-dimethoxy-7-methyl-1-propylnaphthalene - CAS 213971-39-2
Catalog: |
BB071953 |
Product Name: |
6-Bromo-2,3-dimethoxy-7-methyl-1-propylnaphthalene |
CAS: |
213971-39-2 |
Synonyms: |
6-bromo-2,3-dimethoxy-7-methyl-1-propylnaphthalene |
IUPAC Name: | 6-bromo-2,3-dimethoxy-7-methyl-1-propylnaphthalene |
Description: | 6-Bromo-2,3-dimethoxy-7-methyl-1-propylnaphthalene is an intermediate formed in the synthesis of 2,3-Dihydroxy-6-methyl-7-(phenylmethyl)-4-propyl-1-naphthalenecarboxylic Acid (D453265), which is used in the synthesis of novel lactate dehydrogenase A inhibitors. This compound is suitable for lactate dehydrogenase (LDH) related research. |
Molecular Weight: | 323.22 |
Molecular Formula: | C16H19BrO2 |
Canonical SMILES: | CCCC1=C2C=C(C(=CC2=CC(=C1OC)OC)Br)C |
InChI: | InChI=1S/C16H19BrO2/c1-5-6-12-13-7-10(2)14(17)8-11(13)9-15(18-3)16(12)19-4/h7-9H,5-6H2,1-4H3 |
InChI Key: | AXLOROQPFOSIIH-UHFFFAOYSA-N |
Solubility: | Chloroform |
Appearance: | White Solid |
References: | Ward, R.A. et al. J. Med. Chem., 55, 3258 (2012). |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 322.05684 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 322.05684 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.5 |
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