2,3-Dimethoxy-7-methyl-6-(phenylmethyl)-1-propylnaphthalene - CAS 213971-42-7
Catalog: |
BB067501 |
Product Name: |
2,3-Dimethoxy-7-methyl-6-(phenylmethyl)-1-propylnaphthalene |
CAS: |
213971-42-7 |
Synonyms: |
6-Benzyl-2,3-dimethoxy-7-methyl-1-propylnaphthalene |
IUPAC Name: | 6-benzyl-2,3-dimethoxy-7-methyl-1-propylnaphthalene |
Description: | 2,3-Dimethoxy-7-methyl-6-(phenylmethyl)-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: | 334.45 |
Molecular Formula: | C23H26O2 |
Canonical SMILES: | CCCC1=C2C=C(C(=CC2=CC(=C1OC)OC)CC3=CC=CC=C3)C |
InChI: | InChI=1S/C23H26O2/c1-5-9-20-21-12-16(2)18(13-17-10-7-6-8-11-17)14-19(21)15-22(24-3)23(20)25-4/h6-8,10-12,14-15H,5,9,13H2,1-4H3 |
InChI Key: | LOANFESQYQTNLY-UHFFFAOYSA-N |
Solubility: | Chloroform, Methanol |
Appearance: | White Solid |
References: | Ward, R.A. et al. J. Med. Chem., 55, 3258 (2012). |
Complexity: | 390 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.193280068 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 334.193280068 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.7 |
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